N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-2,2-dimethyl-3-(4-pyrrolidin-1-ylphenyl)propanamide

Systemtic Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-2,2-dimethyl-3-(4-pyrrolidin-1-ylphenyl)propanamide Openeye Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-2,2-dimethyl-3-(4-pyrrolidin-1-ylphenyl)propanamide CAS Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)-5-pyrimidinyl]methyl]-2,2-dimethyl-3-[4-(1-pyrrolidinyl)phenyl]propanamide IUPAC Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-2,2-dimethyl-3-(4-pyrrolidin-1-ylphenyl)propanamide Traditional Name: N-[[2-cyano-4-(neopentylamino)pyrimidin-5-yl]methyl]-2,2-dimethyl-3-(4-pyrrolidinophenyl)propionamide Formula: C26H36N6O MolecularWeight: 448.60364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC(=NC=C1CNC(=O)C(C)(C)CC2=CC=C(C=C2)N3CCCC3)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC=C1CNC(=O)C(C)(C)CC2=CC=C(C=C2)N3CCCC3)C#N

InChI

InChI=1S/C26H36N6O/c1-25(2,3)18-30-23-20(16-28-22(15-27)31-23)17-29-24(33)26(4,5)14-19-8-10-21(11-9-19)32-12-6-7-13-32/h8-11,16H,6-7,12-14,17-18H2,1-5H3,(H,29,33)(H,28,30,31)