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

Systemtic Name: 6-[(4-methylphenyl)methylsulfanyl]-1-phenyl-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-phenyl-6-(p-tolylmethylsulfanyl)-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(4-methylphenyl)methylthio]-1-phenyl-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(4-methylphenyl)methylsulfanyl]-1-phenyl-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(4-methylbenzyl)thio]-1-phenyl-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H20N4OS MolecularWeight: 352.4533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2NC3C(=CNN3C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CC1=CC=C(C=C1)CSC2NC3C(=CNN3C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C19H20N4OS/c1-13-7-9-14(10-8-13)12-25-19-21-17-16(18(24)22-19)11-20-23(17)15-5-3-2-4-6-15/h2-11,17,19-21H,12H2,1H3,(H,22,24)