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

Systemtic Name: 6-phenacylsulfanyl-1-phenyl-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-phenacylsulfanyl-1-phenyl-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(phenacylthio)-1-phenyl-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-phenacylsulfanyl-1-phenyl-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(phenacylthio)-1-phenyl-5,6,7,7a-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O2S/c24-16(13-7-3-1-4-8-13)12-26-19-21-17-15(18(25)22-19)11-20-23(17)14-9-5-2-6-10-14/h1-11,17,19-21H,12H2,(H,22,25)