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

Systemtic Name: 3-[1-(4-methylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-N-(4-phenylazanylphenyl)propanamide Openeye Name: N-(4-anilinophenyl)-3-[4-oxo-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-5-yl]propanamide CAS Name: N-(4-anilinophenyl)-3-[1-(4-methylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]propanamide IUPAC Name: N-(4-anilinophenyl)-3-[1-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]propanamide Traditional Name: N-(4-anilinophenyl)-3-[4-keto-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-5-yl]propionamide Formula: C27H24N6O2 MolecularWeight: 464.51846

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)CCC(=O)NC4=CC=C(C=C4)NC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCC(=O)NC4=CC=C(C=C4)NC5=CC=CC=C5

InChI

InChI=1S/C27H24N6O2/c1-19-7-13-23(14-8-19)33-26-24(17-29-33)27(35)32(18-28-26)16-15-25(34)31-22-11-9-21(10-12-22)30-20-5-3-2-4-6-20/h2-14,17-18,30H,15-16H2,1H3,(H,31,34)