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

Systemtic Name: N-(3-methylphenyl)-2-[1-(4-methylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanamide Openeye Name: N-(m-tolyl)-2-[4-oxo-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-5-yl]acetamide CAS Name: N-(3-methylphenyl)-2-[1-(4-methylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]acetamide IUPAC Name: N-(3-methylphenyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide Traditional Name: 2-[4-keto-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-5-yl]-N-(m-tolyl)acetamide Formula: C21H19N5O2 MolecularWeight: 373.40786

Click to see the large picture

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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O2/c1-14-6-8-17(9-7-14)26-20-18(11-23-26)21(28)25(13-22-20)12-19(27)24-16-5-3-4-15(2)10-16/h3-11,13H,12H2,1-2H3,(H,24,27)