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

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[[1-(4-methylphenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[[4-oxo-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[[1-(4-methylphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[[1-(4-methylphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[[4-keto-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetamide Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O4S/c1-13-4-7-15(8-5-13)27-20-16(11-23-27)21(29)26-22(25-20)32-12-19(28)24-14-6-9-17(30-2)18(10-14)31-3/h4-11,23H,12H2,1-3H3,(H,24,28)