N-(3,5-dimethoxyphenyl)-2-[(4-oxidanylidene-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-[(4-oxidanylidene-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanamide Openeye Name: N-(3,5-dimethoxyphenyl)-2-[(4-oxo-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide CAS Name: N-(3,5-dimethoxyphenyl)-2-[(4-oxo-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetamide IUPAC Name: N-(3,5-dimethoxyphenyl)-2-[(4-oxo-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide Traditional Name: N-(3,5-dimethoxyphenyl)-2-[(4-keto-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetamide Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC=C4)OC

InChI

InChI=1S/C21H19N5O4S/c1-29-15-8-13(9-16(10-15)30-2)23-18(27)12-31-21-24-19-17(11-22-25-19)20(28)26(21)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,22,25)(H,23,27)