6-[2-(2-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[2-(2-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-(2-chlorophenyl)-2-oxo-ethyl]sulfanyl-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[2-(2-chlorophenyl)-2-oxoethyl]thio]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-(2-chlorophenyl)-2-oxoethyl]sulfanyl-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-(2-chlorophenyl)-2-keto-ethyl]thio]-5-phenyl-1H-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)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)C4=CC=CC=C4Cl

InChI

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