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

Systemtic Name: 6-[2-(3,4-dichlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-(3,4-dichlorophenyl)-2-oxo-ethyl]sulfanyl-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[2-(3,4-dichlorophenyl)-2-oxoethyl]thio]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-(3,4-dichlorophenyl)-2-keto-ethyl]thio]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H12Cl2N4O2S MolecularWeight: 431.29518

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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(=C(C=C4)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H12Cl2N4O2S/c20-14-7-6-11(8-15(14)21)16(26)10-28-19-23-17-13(9-22-24-17)18(27)25(19)12-4-2-1-3-5-12/h1-9H,10H2,(H,22,24)