1-phenyl-6-(phenylmethylsulfanyl)-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-phenyl-6-(phenylmethylsulfanyl)-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-benzylsulfanyl-1-phenyl-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-phenyl-6-(phenylmethylthio)-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-benzylsulfanyl-1-phenyl-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(benzylthio)-1-phenyl-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2NC3C(=CNN3C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)CSC2NC3C(=CNN3C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C18H18N4OS/c23-17-15-11-19-22(14-9-5-2-6-10-14)16(15)20-18(21-17)24-12-13-7-3-1-4-8-13/h1-11,16,18-20H,12H2,(H,21,23)