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

Systemtic Name: N-methyl-3-[[2-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]-N-phenethyl-benzamide Openeye Name: N-methyl-3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]-N-phenethyl-benzamide CAS Name: N-methyl-3-[[2-(3-methylanilino)-4-pyrimidinyl]amino]-N-phenethylbenzamide IUPAC Name: N-methyl-3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]-N-phenethylbenzamide Traditional Name: N-methyl-3-[[2-(m-toluidino)pyrimidin-4-yl]amino]-N-phenethyl-benzamide Formula: C27H27N5O MolecularWeight: 437.53618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC=CC(=C3)C(=O)N(C)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC=CC(=C3)C(=O)N(C)CCC4=CC=CC=C4

InChI

InChI=1S/C27H27N5O/c1-20-8-6-12-23(18-20)30-27-28-16-14-25(31-27)29-24-13-7-11-22(19-24)26(33)32(2)17-15-21-9-4-3-5-10-21/h3-14,16,18-19H,15,17H2,1-2H3,(H2,28,29,30,31)