3-[[6-[methyl-(3-methylphenyl)amino]pyrimidin-4-yl]amino]-N-(4-phenylbutyl)benzamide

Systemtic Name: 3-[[6-[methyl-(3-methylphenyl)amino]pyrimidin-4-yl]amino]-N-(4-phenylbutyl)benzamide Openeye Name: 3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]-N-(4-phenylbutyl)benzamide CAS Name: 3-[[6-(N,3-dimethylanilino)-4-pyrimidinyl]amino]-N-(4-phenylbutyl)benzamide IUPAC Name: 3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]-N-(4-phenylbutyl)benzamide Traditional Name: 3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]-N-(4-phenylbutyl)benzamide Formula: C29H31N5O MolecularWeight: 465.58934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C)C2=NC=NC(=C2)NC3=CC=CC(=C3)C(=O)NCCCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N(C)C2=NC=NC(=C2)NC3=CC=CC(=C3)C(=O)NCCCCC4=CC=CC=C4

InChI

InChI=1S/C29H31N5O/c1-22-10-8-16-26(18-22)34(2)28-20-27(31-21-32-28)33-25-15-9-14-24(19-25)29(35)30-17-7-6-13-23-11-4-3-5-12-23/h3-5,8-12,14-16,18-21H,6-7,13,17H2,1-2H3,(H,30,35)(H,31,32,33)