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

Systemtic Name: 2-cyano-4-(2,2-dimethylpropylamino)-N-[2-[3-(2-imidazol-1-ylethoxy)phenyl]ethyl]pyrimidine-5-carboxamide Openeye Name: 2-cyano-4-(2,2-dimethylpropylamino)-N-[2-[3-(2-imidazol-1-ylethoxy)phenyl]ethyl]pyrimidine-5-carboxamide CAS Name: 2-cyano-4-(2,2-dimethylpropylamino)-N-[2-[3-[2-(1-imidazolyl)ethoxy]phenyl]ethyl]-5-pyrimidinecarboxamide IUPAC Name: 2-cyano-4-(2,2-dimethylpropylamino)-N-[2-[3-(2-imidazol-1-ylethoxy)phenyl]ethyl]pyrimidine-5-carboxamide Traditional Name: 2-cyano-N-[2-[3-(2-imidazol-1-ylethoxy)phenyl]ethyl]-4-(neopentylamino)pyrimidine-5-carboxamide Formula: C24H29N7O2 MolecularWeight: 447.53276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC(=NC=C1C(=O)NCCC2=CC(=CC=C2)OCCN3C=CN=C3)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC=C1C(=O)NCCC2=CC(=CC=C2)OCCN3C=CN=C3)C#N

InChI

InChI=1S/C24H29N7O2/c1-24(2,3)16-29-22-20(15-28-21(14-25)30-22)23(32)27-8-7-18-5-4-6-19(13-18)33-12-11-31-10-9-26-17-31/h4-6,9-10,13,15,17H,7-8,11-12,16H2,1-3H3,(H,27,32)(H,28,29,30)