N-(3-acetamidophenyl)-2-[1-(4-methylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanamide

Systemtic Name: N-(3-acetamidophenyl)-2-[1-(4-methylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanamide Openeye Name: N-(3-acetamidophenyl)-2-[4-oxo-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-5-yl]acetamide CAS Name: N-(3-acetamidophenyl)-2-[1-(4-methylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]acetamide IUPAC Name: N-(3-acetamidophenyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide Traditional Name: N-(3-acetamidophenyl)-2-[4-keto-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-5-yl]acetamide Formula: C22H20N6O3 MolecularWeight: 416.4326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NC4=CC=CC(=C4)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NC4=CC=CC(=C4)NC(=O)C

InChI

InChI=1S/C22H20N6O3/c1-14-6-8-18(9-7-14)28-21-19(11-24-28)22(31)27(13-23-21)12-20(30)26-17-5-3-4-16(10-17)25-15(2)29/h3-11,13H,12H2,1-2H3,(H,25,29)(H,26,30)