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

Systemtic Name: 3-[[2-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]-N-(2-pyridin-3-ylethyl)benzamide Openeye Name: 3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]-N-[2-(3-pyridyl)ethyl]benzamide CAS Name: 3-[[2-(3-methylanilino)-4-pyrimidinyl]amino]-N-[2-(3-pyridinyl)ethyl]benzamide IUPAC Name: 3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]-N-(2-pyridin-3-ylethyl)benzamide Traditional Name: 3-[[2-(m-toluidino)pyrimidin-4-yl]amino]-N-[2-(3-pyridyl)ethyl]benzamide Formula: C25H24N6O MolecularWeight: 424.49766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC=CC(=C3)C(=O)NCCC4=CN=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC=CC(=C3)C(=O)NCCC4=CN=CC=C4

InChI

InChI=1S/C25H24N6O/c1-18-5-2-8-21(15-18)30-25-28-14-11-23(31-25)29-22-9-3-7-20(16-22)24(32)27-13-10-19-6-4-12-26-17-19/h2-9,11-12,14-17H,10,13H2,1H3,(H,27,32)(H2,28,29,30,31)