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

Systemtic Name: 3-[[6-[methyl-(3-methylphenyl)amino]pyrimidin-4-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide Openeye Name: 3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]-N-(1-methyl-4-piperidyl)benzamide CAS Name: 3-[[6-(N,3-dimethylanilino)-4-pyrimidinyl]amino]-N-(1-methyl-4-piperidinyl)benzamide IUPAC Name: 3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide Traditional Name: 3-[[6-(N,3-dimethylanilino)pyrimidin-4-yl]amino]-N-(1-methyl-4-piperidyl)benzamide Formula: C25H30N6O MolecularWeight: 430.5453

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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)NC4CCN(CC4)C

Isomeric SMILES

CC1=CC(=CC=C1)N(C)C2=NC=NC(=C2)NC3=CC=CC(=C3)C(=O)NC4CCN(CC4)C

InChI

InChI=1S/C25H30N6O/c1-18-6-4-9-22(14-18)31(3)24-16-23(26-17-27-24)28-21-8-5-7-19(15-21)25(32)29-20-10-12-30(2)13-11-20/h4-9,14-17,20H,10-13H2,1-3H3,(H,29,32)(H,26,27,28)