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

Systemtic Name: 4-[[1-(3,5-dimethylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]methyl]-N-phenyl-benzamide Openeye Name: 4-[[1-(3,5-dimethylphenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]methyl]-N-phenyl-benzamide CAS Name: 4-[[1-(3,5-dimethylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]methyl]-N-phenylbenzamide IUPAC Name: 4-[[1-(3,5-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]methyl]-N-phenylbenzamide Traditional Name: 4-[[1-(3,5-dimethylphenyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]methyl]-N-phenyl-benzamide Formula: C27H23N5O2 MolecularWeight: 449.50382

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)CC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5)C

InChI

InChI=1S/C27H23N5O2/c1-18-12-19(2)14-23(13-18)32-25-24(15-29-32)27(34)31(17-28-25)16-20-8-10-21(11-9-20)26(33)30-22-6-4-3-5-7-22/h3-15,17H,16H2,1-2H3,(H,30,33)