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

Systemtic Name: N-(4-ethylphenyl)-3-[[6-[methyl-(3-methylphenyl)amino]pyrimidin-4-yl]amino]benzamide Openeye Name: 3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]-N-(4-ethylphenyl)benzamide CAS Name: 3-[[6-(N,3-dimethylanilino)-4-pyrimidinyl]amino]-N-(4-ethylphenyl)benzamide IUPAC Name: 3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]-N-(4-ethylphenyl)benzamide Traditional Name: 3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]-N-(4-ethylphenyl)benzamide Formula: C27H27N5O MolecularWeight: 437.53618

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC3=CC(=NC=N3)N(C)C4=CC=CC(=C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC3=CC(=NC=N3)N(C)C4=CC=CC(=C4)C

InChI

InChI=1S/C27H27N5O/c1-4-20-11-13-22(14-12-20)31-27(33)21-8-6-9-23(16-21)30-25-17-26(29-18-28-25)32(3)24-10-5-7-19(2)15-24/h5-18H,4H2,1-3H3,(H,31,33)(H,28,29,30)