5-(4-chlorophenyl)-6-(pyridin-3-ylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(4-chlorophenyl)-6-(pyridin-3-ylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(4-chlorophenyl)-6-(3-pyridylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(4-chlorophenyl)-6-(3-pyridinylmethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(4-chlorophenyl)-6-(pyridin-3-ylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(4-chlorophenyl)-6-(3-pyridylmethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C17H12ClN5OS MolecularWeight: 369.82808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC(=CN=C1)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=C(C=C4)Cl

InChI

InChI=1S/C17H12ClN5OS/c18-12-3-5-13(6-4-12)23-16(24)14-9-20-22-15(14)21-17(23)25-10-11-2-1-7-19-8-11/h1-9H,10H2,(H,20,22)