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

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

Click to see the large picture

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)C

Isomeric SMILES

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

InChI

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