2-[[1-(3,4-dimethylphenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[1-(3,4-dimethylphenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[1-(3,4-dimethylphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[1-(3,4-dimethylphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[1-(3,4-dimethylphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[1-(3,4-dimethylphenyl)-4-keto-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-phenyl-acetamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C21H19N5O2S/c1-13-8-9-16(10-14(13)2)26-19-17(11-22-26)20(28)25-21(24-19)29-12-18(27)23-15-6-4-3-5-7-15/h3-11,22H,12H2,1-2H3,(H,23,27)