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

Systemtic Name: 2-cyano-4-(2,2-dimethylpropylamino)-N-[2-[3-(2-imidazol-1-ylethoxy)-4-methoxy-phenyl]ethyl]pyrimidine-5-carboxamide Openeye Name: 2-cyano-4-(2,2-dimethylpropylamino)-N-[2-[3-(2-imidazol-1-ylethoxy)-4-methoxy-phenyl]ethyl]pyrimidine-5-carboxamide CAS Name: 2-cyano-4-(2,2-dimethylpropylamino)-N-[2-[3-[2-(1-imidazolyl)ethoxy]-4-methoxyphenyl]ethyl]-5-pyrimidinecarboxamide IUPAC Name: 2-cyano-4-(2,2-dimethylpropylamino)-N-[2-[3-(2-imidazol-1-ylethoxy)-4-methoxyphenyl]ethyl]pyrimidine-5-carboxamide Traditional Name: 2-cyano-N-[2-[3-(2-imidazol-1-ylethoxy)-4-methoxy-phenyl]ethyl]-4-(neopentylamino)pyrimidine-5-carboxamide Formula: C25H31N7O3 MolecularWeight: 477.55874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N7O3/c1-25(2,3)16-30-23-19(15-29-22(14-26)31-23)24(33)28-8-7-18-5-6-20(34-4)21(13-18)35-12-11-32-10-9-27-17-32/h5-6,9-10,13,15,17H,7-8,11-12,16H2,1-4H3,(H,28,33)(H,29,30,31)