3-[[2-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]-N-(2-methyl-1-phenyl-propan-2-yl)benzamide

Systemtic Name: 3-[[2-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]-N-(2-methyl-1-phenyl-propan-2-yl)benzamide Openeye Name: N-(1,1-dimethyl-2-phenyl-ethyl)-3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]benzamide CAS Name: 3-[[2-(3-methylanilino)-4-pyrimidinyl]amino]-N-(2-methyl-1-phenylpropan-2-yl)benzamide IUPAC Name: 3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]-N-(2-methyl-1-phenylpropan-2-yl)benzamide Traditional Name: N-(1,1-dimethyl-2-phenyl-ethyl)-3-[[2-(m-toluidino)pyrimidin-4-yl]amino]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)NC(C)(C)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC=CC(=C3)C(=O)NC(C)(C)CC4=CC=CC=C4

InChI

InChI=1S/C28H29N5O/c1-20-9-7-13-23(17-20)31-27-29-16-15-25(32-27)30-24-14-8-12-22(18-24)26(34)33-28(2,3)19-21-10-5-4-6-11-21/h4-18H,19H2,1-3H3,(H,33,34)(H2,29,30,31,32)