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

Systemtic Name: N-(2-methylbutyl)-3-[[2-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]benzamide Openeye Name: 3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]-N-(2-methylbutyl)benzamide CAS Name: 3-[[2-(3-methylanilino)-4-pyrimidinyl]amino]-N-(2-methylbutyl)benzamide IUPAC Name: 3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]-N-(2-methylbutyl)benzamide Traditional Name: N-(2-methylbutyl)-3-[[2-(m-toluidino)pyrimidin-4-yl]amino]benzamide Formula: C23H27N5O MolecularWeight: 389.49338

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC(=O)C1=CC(=CC=C1)NC2=NC(=NC=C2)NC3=CC=CC(=C3)C

Isomeric SMILES

CCC(C)CNC(=O)C1=CC(=CC=C1)NC2=NC(=NC=C2)NC3=CC=CC(=C3)C

InChI

InChI=1S/C23H27N5O/c1-4-16(2)15-25-22(29)18-8-6-10-20(14-18)26-21-11-12-24-23(28-21)27-19-9-5-7-17(3)13-19/h5-14,16H,4,15H2,1-3H3,(H,25,29)(H2,24,26,27,28)