2-cyano-4-(2,2-dimethylpropylamino)-N-[2-[3-(4-methylpiperazin-1-yl)phenyl]ethyl]pyrimidine-5-carboxamide

Systemtic Name: 2-cyano-4-(2,2-dimethylpropylamino)-N-[2-[3-(4-methylpiperazin-1-yl)phenyl]ethyl]pyrimidine-5-carboxamide Openeye Name: 2-cyano-4-(2,2-dimethylpropylamino)-N-[2-[3-(4-methylpiperazin-1-yl)phenyl]ethyl]pyrimidine-5-carboxamide CAS Name: 2-cyano-4-(2,2-dimethylpropylamino)-N-[2-[3-(4-methyl-1-piperazinyl)phenyl]ethyl]-5-pyrimidinecarboxamide IUPAC Name: 2-cyano-4-(2,2-dimethylpropylamino)-N-[2-[3-(4-methylpiperazin-1-yl)phenyl]ethyl]pyrimidine-5-carboxamide Traditional Name: 2-cyano-N-[2-[3-(4-methylpiperazino)phenyl]ethyl]-4-(neopentylamino)pyrimidine-5-carboxamide Formula: C24H33N7O MolecularWeight: 435.56512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC(=NC=C1C(=O)NCCC2=CC(=CC=C2)N3CCN(CC3)C)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC=C1C(=O)NCCC2=CC(=CC=C2)N3CCN(CC3)C)C#N

InChI

InChI=1S/C24H33N7O/c1-24(2,3)17-28-22-20(16-27-21(15-25)29-22)23(32)26-9-8-18-6-5-7-19(14-18)31-12-10-30(4)11-13-31/h5-7,14,16H,8-13,17H2,1-4H3,(H,26,32)(H,27,28,29)