3-[[5-cyano-6-[2,2-dimethylpropyl(methyl)amino]-2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]amino]-N,4-dimethyl-benzamide

Systemtic Name: 3-[[5-cyano-6-[2,2-dimethylpropyl(methyl)amino]-2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]amino]-N,4-dimethyl-benzamide Openeye Name: 3-[[5-cyano-6-[2,2-dimethylpropyl(methyl)amino]-2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]amino]-N,4-dimethyl-benzamide CAS Name: 3-[[5-cyano-6-[2,2-dimethylpropyl(methyl)amino]-2-(4-methyl-1,4-diazepan-1-yl)-4-pyrimidinyl]amino]-N,4-dimethylbenzamide IUPAC Name: 3-[[5-cyano-6-[2,2-dimethylpropyl(methyl)amino]-2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]amino]-N,4-dimethylbenzamide Traditional Name: 3-[[5-cyano-2-(4-methyl-1,4-diazepan-1-yl)-6-[methyl(neopentyl)amino]pyrimidin-4-yl]amino]-N,4-dimethyl-benzamide Formula: C26H38N8O MolecularWeight: 478.63292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC)NC2=C(C(=NC(=N2)N3CCCN(CC3)C)N(C)CC(C)(C)C)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC)NC2=C(C(=NC(=N2)N3CCCN(CC3)C)N(C)CC(C)(C)C)C#N

InChI

InChI=1S/C26H38N8O/c1-18-9-10-19(24(35)28-5)15-21(18)29-22-20(16-27)23(33(7)17-26(2,3)4)31-25(30-22)34-12-8-11-32(6)13-14-34/h9-10,15H,8,11-14,17H2,1-7H3,(H,28,35)(H,29,30,31)