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

Systemtic Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-2-(4-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide CAS Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)-5-pyrimidinyl]methyl]-2-[4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: N-[[2-cyano-4-(neopentylamino)pyrimidin-5-yl]methyl]-2-(4-pyrrolidinophenyl)acetamide Formula: C23H30N6O MolecularWeight: 406.5239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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