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

Systemtic Name: N-(4-methylpentan-2-yl)-3-[[2-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]benzamide Openeye Name: N-(1,3-dimethylbutyl)-3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]benzamide CAS Name: 3-[[2-(3-methylanilino)-4-pyrimidinyl]amino]-N-(4-methylpentan-2-yl)benzamide IUPAC Name: 3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]-N-(4-methylpentan-2-yl)benzamide Traditional Name: N-(1,3-dimethylbutyl)-3-[[2-(m-toluidino)pyrimidin-4-yl]amino]benzamide Formula: C24H29N5O MolecularWeight: 403.51996

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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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5O/c1-16(2)13-18(4)26-23(30)19-8-6-10-21(15-19)27-22-11-12-25-24(29-22)28-20-9-5-7-17(3)14-20/h5-12,14-16,18H,13H2,1-4H3,(H,26,30)(H2,25,27,28,29)