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

Systemtic Name: 3-azanyl-6-(4-chlorophenyl)-5-(4-methylsulfanylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-amino-6-(4-chlorophenyl)-5-(4-methylsulfanylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-amino-6-(4-chlorophenyl)-5-[4-(methylthio)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 3-amino-6-(4-chlorophenyl)-5-(4-methylsulfanylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-amino-6-(4-chlorophenyl)-5-[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)N2C(=NC3=NNC(=C3C2=O)N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CSC1=CC=C(C=C1)N2C(=NC3=NNC(=C3C2=O)N)C4=CC=C(C=C4)Cl

InChI

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