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

Systemtic Name: N-(4-acetamidophenyl)-2-[[1-(4-methylphenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[[4-oxo-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[[1-(4-methylphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[[1-(4-methylphenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[[4-keto-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetamide Formula: C22H20N6O3S MolecularWeight: 448.4976

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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)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H20N6O3S/c1-13-3-9-17(10-4-13)28-20-18(11-23-28)21(31)27-22(26-20)32-12-19(30)25-16-7-5-15(6-8-16)24-14(2)29/h3-11,23H,12H2,1-2H3,(H,24,29)(H,25,30)