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

Systemtic Name: 2-[1-(3-methylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-N-phenyl-ethanamide Openeye Name: 2-[1-(m-tolyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]-N-phenyl-acetamide CAS Name: 2-[1-(3-methylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-N-phenylacetamide IUPAC Name: 2-[1-(3-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-N-phenylacetamide Traditional Name: 2-[4-keto-1-(m-tolyl)pyrazolo[3,4-d]pyrimidin-5-yl]-N-phenyl-acetamide Formula: C20H17N5O2 MolecularWeight: 359.38128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5O2/c1-14-6-5-9-16(10-14)25-19-17(11-22-25)20(27)24(13-21-19)12-18(26)23-15-7-3-2-4-8-15/h2-11,13H,12H2,1H3,(H,23,26)