3-azanyl-5-(4-methylphenyl)-6-(4-methylsulfanylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 3-azanyl-5-(4-methylphenyl)-6-(4-methylsulfanylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-amino-6-(4-methylsulfanylphenyl)-5-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-amino-5-(4-methylphenyl)-6-[4-(methylthio)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 3-amino-5-(4-methylphenyl)-6-(4-methylsulfanylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-amino-6-[4-(methylthio)phenyl]-5-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H17N5OS MolecularWeight: 363.43618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NC3=NNC(=C3C2=O)N)C4=CC=C(C=C4)SC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NC3=NNC(=C3C2=O)N)C4=CC=C(C=C4)SC

InChI

InChI=1S/C19H17N5OS/c1-11-3-7-13(8-4-11)24-18(12-5-9-14(26-2)10-6-12)21-17-15(19(24)25)16(20)22-23-17/h3-10H,1-2H3,(H3,20,22,23)