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

Systemtic Name: 3-azanyl-5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-amino-5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-amino-5-(4-chlorophenyl)-6-[4-(methylthio)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 3-amino-5-(4-chlorophenyl)-6-(4-methylsulfanylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-amino-5-(4-chlorophenyl)-6-[4-(methylthio)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H14ClN5OS MolecularWeight: 383.85466

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NC3=NNC(=C3C(=O)N2C4=CC=C(C=C4)Cl)N

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NC3=NNC(=C3C(=O)N2C4=CC=C(C=C4)Cl)N

InChI

InChI=1S/C18H14ClN5OS/c1-26-13-8-2-10(3-9-13)17-21-16-14(15(20)22-23-16)18(25)24(17)12-6-4-11(19)5-7-12/h2-9H,1H3,(H3,20,22,23)