1-(3-chlorophenyl)-6-phenacylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(3-chlorophenyl)-6-phenacylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(3-chlorophenyl)-6-phenacylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(3-chlorophenyl)-6-(phenacylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(3-chlorophenyl)-6-phenacylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(3-chlorophenyl)-6-(phenacylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H13ClN4O2S MolecularWeight: 396.85012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C19H13ClN4O2S/c20-13-7-4-8-14(9-13)24-17-15(10-21-24)18(26)23-19(22-17)27-11-16(25)12-5-2-1-3-6-12/h1-10,21H,11H2