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

Systemtic Name: 3-[[2-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide Openeye Name: 3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]-N-[2-(1-piperidyl)ethyl]benzamide CAS Name: 3-[[2-(3-methylanilino)-4-pyrimidinyl]amino]-N-[2-(1-piperidinyl)ethyl]benzamide IUPAC Name: 3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]-N-(2-piperidin-1-ylethyl)benzamide Traditional Name: 3-[[2-(m-toluidino)pyrimidin-4-yl]amino]-N-(2-piperidinoethyl)benzamide Formula: C25H30N6O MolecularWeight: 430.5453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC=CC(=C3)C(=O)NCCN4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC=CC(=C3)C(=O)NCCN4CCCCC4

InChI

InChI=1S/C25H30N6O/c1-19-7-5-9-21(17-19)29-25-27-12-11-23(30-25)28-22-10-6-8-20(18-22)24(32)26-13-16-31-14-3-2-4-15-31/h5-12,17-18H,2-4,13-16H2,1H3,(H,26,32)(H2,27,28,29,30)