N-(3-imidazol-1-ylpropyl)-3-[[6-[methyl-(3-methylphenyl)amino]pyrimidin-4-yl]amino]benzamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-3-[[6-[methyl-(3-methylphenyl)amino]pyrimidin-4-yl]amino]benzamide Openeye Name: 3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]-N-(3-imidazol-1-ylpropyl)benzamide CAS Name: 3-[[6-(N,3-dimethylanilino)-4-pyrimidinyl]amino]-N-[3-(1-imidazolyl)propyl]benzamide IUPAC Name: 3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]-N-(3-imidazol-1-ylpropyl)benzamide Traditional Name: 3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]-N-(3-imidazol-1-ylpropyl)benzamide Formula: C25H27N7O MolecularWeight: 441.52818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C)C2=NC=NC(=C2)NC3=CC=CC(=C3)C(=O)NCCCN4C=CN=C4

Isomeric SMILES

CC1=CC(=CC=C1)N(C)C2=NC=NC(=C2)NC3=CC=CC(=C3)C(=O)NCCCN4C=CN=C4

InChI

InChI=1S/C25H27N7O/c1-19-6-3-9-22(14-19)31(2)24-16-23(28-17-29-24)30-21-8-4-7-20(15-21)25(33)27-10-5-12-32-13-11-26-18-32/h3-4,6-9,11,13-18H,5,10,12H2,1-2H3,(H,27,33)(H,28,29,30)