3-[[2-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]-N-(4-phenylbutyl)benzamide

Systemtic Name: 3-[[2-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]-N-(4-phenylbutyl)benzamide Openeye Name: 3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]-N-(4-phenylbutyl)benzamide CAS Name: 3-[[2-(3-methylanilino)-4-pyrimidinyl]amino]-N-(4-phenylbutyl)benzamide IUPAC Name: 3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]-N-(4-phenylbutyl)benzamide Traditional Name: 3-[[2-(m-toluidino)pyrimidin-4-yl]amino]-N-(4-phenylbutyl)benzamide Formula: C28H29N5O MolecularWeight: 451.56276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC=CC(=C3)C(=O)NCCCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC=CC(=C3)C(=O)NCCCCC4=CC=CC=C4

InChI

InChI=1S/C28H29N5O/c1-21-9-7-14-24(19-21)32-28-30-18-16-26(33-28)31-25-15-8-13-23(20-25)27(34)29-17-6-5-12-22-10-3-2-4-11-22/h2-4,7-11,13-16,18-20H,5-6,12,17H2,1H3,(H,29,34)(H2,30,31,32,33)