2-cyano-4-(2,2-dimethylpropylamino)-N-[2-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethyl]pyrimidine-5-carboxamide

Systemtic Name: 2-cyano-4-(2,2-dimethylpropylamino)-N-[2-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethyl]pyrimidine-5-carboxamide Openeye Name: 2-cyano-4-(2,2-dimethylpropylamino)-N-[2-[4-[(1-methyl-4-piperidyl)oxy]phenyl]ethyl]pyrimidine-5-carboxamide CAS Name: 2-cyano-4-(2,2-dimethylpropylamino)-N-[2-[4-[(1-methyl-4-piperidinyl)oxy]phenyl]ethyl]-5-pyrimidinecarboxamide IUPAC Name: 2-cyano-4-(2,2-dimethylpropylamino)-N-[2-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethyl]pyrimidine-5-carboxamide Traditional Name: 2-cyano-N-[2-[4-[(1-methyl-4-piperidyl)oxy]phenyl]ethyl]-4-(neopentylamino)pyrimidine-5-carboxamide Formula: C25H34N6O2 MolecularWeight: 450.57646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC(=NC=C1C(=O)NCCC2=CC=C(C=C2)OC3CCN(CC3)C)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC=C1C(=O)NCCC2=CC=C(C=C2)OC3CCN(CC3)C)C#N

InChI

InChI=1S/C25H34N6O2/c1-25(2,3)17-29-23-21(16-28-22(15-26)30-23)24(32)27-12-9-18-5-7-19(8-6-18)33-20-10-13-31(4)14-11-20/h5-8,16,20H,9-14,17H2,1-4H3,(H,27,32)(H,28,29,30)