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

Systemtic Name: N-methyl-3-[[6-[methyl-(3-methylphenyl)amino]pyrimidin-4-yl]amino]-N-phenethyl-benzamide Openeye Name: 3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]-N-methyl-N-phenethyl-benzamide CAS Name: 3-[[6-(N,3-dimethylanilino)-4-pyrimidinyl]amino]-N-methyl-N-phenethylbenzamide IUPAC Name: 3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]-N-methyl-N-phenethylbenzamide Traditional Name: 3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]-N-methyl-N-phenethyl-benzamide Formula: C28H29N5O MolecularWeight: 451.56276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C)C2=NC=NC(=C2)NC3=CC=CC(=C3)C(=O)N(C)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N(C)C2=NC=NC(=C2)NC3=CC=CC(=C3)C(=O)N(C)CCC4=CC=CC=C4

InChI

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