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Pyrazolopyrimidines

Organic heterocyclic compounds that consist of a pyrazole ring fused with a pyrimidine ring.
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1

Desmethyl Fondenafil, TRC

CAS: 147676-79-7 Chemical Name or Material: Desmethylcarbodenafil Formula Weight: 438.2379 InChI Formula: InChI=1S/C23H30N6O3/c1-5-7-17-19-20(28(4)26-17)22(30)25-21(24-19)16-14-15(8-9-18(16)32-6-2)23(31)29-12-10-27(3)11-13-29/h8-9,14H,5-7,10-13H2,1-4H3,(H,24,25,30) IUPAC Name: 5-[2-ethoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one Molecular Formula: C23 H30 N6 O3 Molecular Weight (g/mol): 438.52 Percent Purity: >95% Purity Grade Notes: HPLC Recommended Storage: +4°C SMILES: CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)C(=O)N4CCN(C)CC4 Synonym: Piperazine, 1-[3-(4,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxybenzoyl]-4-methyl- (9CI),1H-Pyrazolo[4,3-d]pyrimidine, piperazine deriv.,5-[2-Ethoxy-5-[(4-methyl-1-piperazinyl)carbonyl]phenyl]-1,6-dihydro-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-one,5-[2-Ethoxy-5-(4-methylpiperazinylcarbonyl)phenyl]-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one,Desmethylcarbodenafil,Desmethyl Fondenafil

Percent Purity >95%
CAS 147676-79-7
Molecular Weight (g/mol) 438.52
InChI Formula InChI=1S/C23H30N6O3/c1-5-7-17-19-20(28(4)26-17)22(30)25-21(24-19)16-14-15(8-9-18(16)32-6-2)23(31)29-12-10-27(3)11-13-29/h8-9,14H,5-7,10-13H2,1-4H3,(H,24,25,30)
Chemical Name or Material Desmethylcarbodenafil
Synonym Piperazine, 1-[3-(4,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxybenzoyl]-4-methyl- (9CI),1H-Pyrazolo[4,3-d]pyrimidine, piperazine deriv.,5-[2-Ethoxy-5-[(4-methyl-1-piperazinyl)carbonyl]phenyl]-1,6-dihydro-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-one,5-[2-Ethoxy-5-(4-methylpiperazinylcarbonyl)phenyl]-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one,Desmethylcarbodenafil,Desmethyl Fondenafil
SMILES CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)C(=O)N4CCN(C)CC4
Recommended Storage +4°C
Purity Grade Notes HPLC
Molecular Formula C23 H30 N6 O3
IUPAC Name 5-[2-ethoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
Formula Weight 438.2379
2

De(methypiperazinyl) Sildenafil Dimer Impurity, TRC

CAS: 1346603-48-2 Molecular Formula: C34H38N8O6S Molecular Weight (g/mol): 686.78 Synonym: 5-[2-Ethoxy-5-[4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl]phenyl]-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one SMILES: CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)C4=CC(=C(C=C4)OCC)C5=NC(=O)C6=C(N5)C(=NN6C)CCC)OCC)C

CAS 1346603-48-2
Molecular Weight (g/mol) 686.78
SMILES CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)C4=CC(=C(C=C4)OCC)C5=NC(=O)C6=C(N5)C(=NN6C)CCC)OCC)C
Synonym 5-[2-Ethoxy-5-[4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl]phenyl]-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
Molecular Formula C34H38N8O6S
3

Hydroxy Chlorodenafil, TRC

CAS: 1391054-00-4 Chemical Name or Material: Hydroxychlorodenafil (5-[5-(2-Chloro-1-hydroxyethyl)-2-ethoxyphenyl]-1,6-dihydro-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-one) Formula Weight: 390.1459 InChI Formula: InChI=1S/C19H23ClN4O3/c1-4-6-13-16-17(24(3)23-13)19(26)22-18(21-16)12-9-11(14(25)10-20)7-8-15(12)27-5-2/h7-9,14,25H,4-6,10H2,1-3H3,(H,21,22,26) IUPAC Name: 5-[5-(2-chloro-1-hydroxyethyl)-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one Molecular Formula: C19 H23 Cl N4 O3 Molecular Weight (g/mol): 390.86 Percent Purity: >95% Purity Grade Notes: HPLC Recommended Storage: +4°C SMILES: CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)C(O)CCl Synonym: 7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-[5-(2-chloro-1-hydroxyethyl)-2-ethoxyphenyl]-1,6-dihydro-1-methyl-3-propyl-

Percent Purity >95%
CAS 1391054-00-4
Molecular Weight (g/mol) 390.86
InChI Formula InChI=1S/C19H23ClN4O3/c1-4-6-13-16-17(24(3)23-13)19(26)22-18(21-16)12-9-11(14(25)10-20)7-8-15(12)27-5-2/h7-9,14,25H,4-6,10H2,1-3H3,(H,21,22,26)
Chemical Name or Material Hydroxychlorodenafil (5-[5-(2-Chloro-1-hydroxyethyl)-2-ethoxyphenyl]-1,6-dihydro-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-one)
Synonym 7H-Pyrazolo[4,3-d]pyrimidin-7-one, 5-[5-(2-chloro-1-hydroxyethyl)-2-ethoxyphenyl]-1,6-dihydro-1-methyl-3-propyl-
SMILES CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)C(O)CCl
Recommended Storage +4°C
Purity Grade Notes HPLC
Molecular Formula C19 H23 Cl N4 O3
IUPAC Name 5-[5-(2-chloro-1-hydroxyethyl)-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
Formula Weight 390.1459
4

Pyrazolo[1,5-a]pyrimidine-5-carboxylic Acid, TRC

CAS: 1086375-50-9 Molecular Formula: C7H5N3O2 Molecular Weight (g/mol): 163.13 IUPAC Name: pyrazolo[1,5-a]pyrimidine-5-carboxylic acid SMILES: OC(=O)c1ccn2nccc2n1

CAS 1086375-50-9
Molecular Weight (g/mol) 163.13
SMILES OC(=O)c1ccn2nccc2n1
IUPAC Name pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
Molecular Formula C7H5N3O2
5

4-Amino-1-tert-butyl-3-(3-methylbenzyl)pyrazolo[3,4-d]pyrimidine, TRC

CAS: 956025-83-5 Chemical Name or Material: 4-Amino-1-tert-butyl-3-(3-methylbenzyl)pyrazolo[3,4-d]pyrimidine Formula Weight: 295.1797 InChI Formula: InChI=1S/C17H21N5/c1-11-6-5-7-12(8-11)9-13-14-15(18)19-10-20-16(14)22(21-13)17(2,3)4/h5-8,10H,9H2,1-4H3,(H2,18,19,20) IUPAC Name: 1-tert-butyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine Molecular Formula: C17 H21 N5 Molecular Weight (g/mol): 295.38 Percent Purity: >95% Purity Grade Notes: HPLC Recommended Storage: -20°C SMILES: Cc1cccc(Cc2nn(c3ncnc(N)c23)C(C)(C)C)c1

Percent Purity >95%
CAS 956025-83-5
Molecular Weight (g/mol) 295.38
InChI Formula InChI=1S/C17H21N5/c1-11-6-5-7-12(8-11)9-13-14-15(18)19-10-20-16(14)22(21-13)17(2,3)4/h5-8,10H,9H2,1-4H3,(H2,18,19,20)
Chemical Name or Material 4-Amino-1-tert-butyl-3-(3-methylbenzyl)pyrazolo[3,4-d]pyrimidine
SMILES Cc1cccc(Cc2nn(c3ncnc(N)c23)C(C)(C)C)c1
Recommended Storage -20°C
Purity Grade Notes HPLC
Molecular Formula C17 H21 N5
IUPAC Name 1-tert-butyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
Formula Weight 295.1797
6

4-Amino-1-tert-butyl-3-(3-bromobenzyl)pyrazolo[3,4-d]pyrimidine, TRC

CAS: 956025-99-3 Chemical Name or Material: 4-Amino-1-tert-butyl-3-(3-bromobenzyl)pyrazolo[3,4-d]pyrimidine Formula Weight: 359.0746 InChI Formula: InChI=1S/C16H18BrN5/c1-16(2,3)22-15-13(14(18)19-9-20-15)12(21-22)8-10-5-4-6-11(17)7-10/h4-7,9H,8H2,1-3H3,(H2,18,19,20) IUPAC Name: 3-[(3-bromophenyl)methyl]-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine Molecular Formula: C16 H18 Br N5 Molecular Weight (g/mol): 360.25 Percent Purity: >95% Purity Grade Notes: HPLC Recommended Storage: +4°C SMILES: CC(C)(C)n1nc(Cc2cccc(Br)c2)c3c(N)ncnc13 Synonym: 3-[(3-Bromophenyl)methyl]-1-(1,1-dimethylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine,3-BrB-PP1;

Percent Purity >95%
CAS 956025-99-3
Molecular Weight (g/mol) 360.25
InChI Formula InChI=1S/C16H18BrN5/c1-16(2,3)22-15-13(14(18)19-9-20-15)12(21-22)8-10-5-4-6-11(17)7-10/h4-7,9H,8H2,1-3H3,(H2,18,19,20)
Chemical Name or Material 4-Amino-1-tert-butyl-3-(3-bromobenzyl)pyrazolo[3,4-d]pyrimidine
Synonym 3-[(3-Bromophenyl)methyl]-1-(1,1-dimethylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine,3-BrB-PP1;
SMILES CC(C)(C)n1nc(Cc2cccc(Br)c2)c3c(N)ncnc13
Recommended Storage +4°C
Purity Grade Notes HPLC
Molecular Formula C16 H18 Br N5
IUPAC Name 3-[(3-bromophenyl)methyl]-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine
Formula Weight 359.0746
8

Dichlorodenafil, TRC

CAS: 1446089-84-4 Chemical Name or Material: Dichlorodenafil Formula Weight: 406.0963 InChI Formula: InChI=1S/C19H20Cl2N4O2/c1-4-6-14-16-17(25(3)24-14)19(26)23-18(22-16)12-9-11(13(21)10-20)7-8-15(12)27-5-2/h7-10H,4-6H2,1-3H3,(H,22,23,26)/b13-10- IUPAC Name: 5-[5-[(Z)-1,2-dichloroethenyl]-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one Molecular Formula: C19 H20 Cl2 N4 O2 Molecular Weight (g/mol): 407.29 Recommended Storage: -20°C SMILES: CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)\C(=C\Cl)\Cl Synonym: 5-[5-[(1Z)-1,2-Dichloroethenyl]-2-ethoxyphenyl]-1,6-dihydro-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-one,Dichlorodenafil

CAS 1446089-84-4
Molecular Weight (g/mol) 407.29
InChI Formula InChI=1S/C19H20Cl2N4O2/c1-4-6-14-16-17(25(3)24-14)19(26)23-18(22-16)12-9-11(13(21)10-20)7-8-15(12)27-5-2/h7-10H,4-6H2,1-3H3,(H,22,23,26)/b13-10-
Chemical Name or Material Dichlorodenafil
Synonym 5-[5-[(1Z)-1,2-Dichloroethenyl]-2-ethoxyphenyl]-1,6-dihydro-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-one,Dichlorodenafil
SMILES CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)\C(=C\Cl)\Cl
Recommended Storage -20°C
Molecular Formula C19 H20 Cl2 N4 O2
IUPAC Name 5-[5-[(Z)-1,2-dichloroethenyl]-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
Formula Weight 406.0963