2-cyano-4-(2,2-dimethylpropylamino)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]pyrimidine-5-carboxamide

Systemtic Name: 2-cyano-4-(2,2-dimethylpropylamino)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]pyrimidine-5-carboxamide Openeye Name: 2-cyano-4-(2,2-dimethylpropylamino)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]pyrimidine-5-carboxamide CAS Name: 2-cyano-4-(2,2-dimethylpropylamino)-N-[2-[4-(1-pyrrolidinyl)phenyl]ethyl]-5-pyrimidinecarboxamide IUPAC Name: 2-cyano-4-(2,2-dimethylpropylamino)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]pyrimidine-5-carboxamide Traditional Name: 2-cyano-4-(neopentylamino)-N-[2-(4-pyrrolidinophenyl)ethyl]pyrimidine-5-carboxamide Formula: C23H30N6O MolecularWeight: 406.5239

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC(=NC=C1C(=O)NCCC2=CC=C(C=C2)N3CCCC3)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC=C1C(=O)NCCC2=CC=C(C=C2)N3CCCC3)C#N

InChI

InChI=1S/C23H30N6O/c1-23(2,3)16-27-21-19(15-26-20(14-24)28-21)22(30)25-11-10-17-6-8-18(9-7-17)29-12-4-5-13-29/h6-9,15H,4-5,10-13,16H2,1-3H3,(H,25,30)(H,26,27,28)