3-[[2-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide

Systemtic Name: 3-[[2-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide Openeye Name: 3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]-N-(1-methyl-4-piperidyl)benzamide CAS Name: 3-[[2-(3-methylanilino)-4-pyrimidinyl]amino]-N-(1-methyl-4-piperidinyl)benzamide IUPAC Name: 3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide Traditional Name: N-(1-methyl-4-piperidyl)-3-[[2-(m-toluidino)pyrimidin-4-yl]amino]benzamide Formula: C24H28N6O MolecularWeight: 416.51872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC=CC(=C3)C(=O)NC4CCN(CC4)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC=CC(=C3)C(=O)NC4CCN(CC4)C

InChI

InChI=1S/C24H28N6O/c1-17-5-3-7-20(15-17)28-24-25-12-9-22(29-24)26-21-8-4-6-18(16-21)23(31)27-19-10-13-30(2)14-11-19/h3-9,12,15-16,19H,10-11,13-14H2,1-2H3,(H,27,31)(H2,25,26,28,29)