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

Systemtic Name: 3-[[2-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide Openeye Name: 3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]-N-(3-morpholinopropyl)benzamide CAS Name: 3-[[2-(3-methylanilino)-4-pyrimidinyl]amino]-N-[3-(4-morpholinyl)propyl]benzamide IUPAC Name: 3-[[2-(3-methylanilino)pyrimidin-4-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide Traditional Name: N-(3-morpholinopropyl)-3-[[2-(m-toluidino)pyrimidin-4-yl]amino]benzamide Formula: C25H30N6O2 MolecularWeight: 446.5447

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC=CC(=C3)C(=O)NCCCN4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=CC(=N2)NC3=CC=CC(=C3)C(=O)NCCCN4CCOCC4

InChI

InChI=1S/C25H30N6O2/c1-19-5-2-7-21(17-19)29-25-27-11-9-23(30-25)28-22-8-3-6-20(18-22)24(32)26-10-4-12-31-13-15-33-16-14-31/h2-3,5-9,11,17-18H,4,10,12-16H2,1H3,(H,26,32)(H2,27,28,29,30)