N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-3-(4-methylpiperazin-1-yl)benzamide

Systemtic Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-3-(4-methylpiperazin-1-yl)benzamide Openeye Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-3-(4-methylpiperazin-1-yl)benzamide CAS Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)-5-pyrimidinyl]methyl]-3-(4-methyl-1-piperazinyl)benzamide IUPAC Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-3-(4-methylpiperazin-1-yl)benzamide Traditional Name: N-[[2-cyano-4-(neopentylamino)pyrimidin-5-yl]methyl]-3-(4-methylpiperazino)benzamide Formula: C23H31N7O MolecularWeight: 421.53854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC(=NC=C1CNC(=O)C2=CC(=CC=C2)N3CCN(CC3)C)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC=C1CNC(=O)C2=CC(=CC=C2)N3CCN(CC3)C)C#N

InChI

InChI=1S/C23H31N7O/c1-23(2,3)16-27-21-18(14-25-20(13-24)28-21)15-26-22(31)17-6-5-7-19(12-17)30-10-8-29(4)9-11-30/h5-7,12,14H,8-11,15-16H2,1-4H3,(H,26,31)(H,25,27,28)