3-[[6-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]-N-pentan-3-yl-benzamide

Systemtic Name: 3-[[6-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]-N-pentan-3-yl-benzamide Openeye Name: N-(1-ethylpropyl)-3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]benzamide CAS Name: 3-[[6-(3-methylanilino)-4-pyrimidinyl]amino]-N-pentan-3-ylbenzamide IUPAC Name: 3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]-N-pentan-3-ylbenzamide Traditional Name: N-(1-ethylpropyl)-3-[[6-(m-toluidino)pyrimidin-4-yl]amino]benzamide Formula: C23H27N5O MolecularWeight: 389.49338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O/c1-4-18(5-2)28-23(29)17-9-7-11-20(13-17)27-22-14-21(24-15-25-22)26-19-10-6-8-16(3)12-19/h6-15,18H,4-5H2,1-3H3,(H,28,29)(H2,24,25,26,27)