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

Systemtic Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-2,2-dimethyl-3-(3-pyrrolidin-1-ylphenyl)propanamide Openeye Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-2,2-dimethyl-3-(3-pyrrolidin-1-ylphenyl)propanamide CAS Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)-5-pyrimidinyl]methyl]-2,2-dimethyl-3-[3-(1-pyrrolidinyl)phenyl]propanamide IUPAC Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-2,2-dimethyl-3-(3-pyrrolidin-1-ylphenyl)propanamide Traditional Name: N-[[2-cyano-4-(neopentylamino)pyrimidin-5-yl]methyl]-2,2-dimethyl-3-(3-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(=CC=C2)N3CCCC3)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC=C1CNC(=O)C(C)(C)CC2=CC(=CC=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)14-19-9-8-10-21(13-19)32-11-6-7-12-32/h8-10,13,16H,6-7,11-12,14,17-18H2,1-5H3,(H,29,33)(H,28,30,31)