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

Systemtic Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-2-methyl-2-(4-pyrrolidin-1-ylphenyl)propanamide Openeye Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-2-methyl-2-(4-pyrrolidin-1-ylphenyl)propanamide CAS Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)-5-pyrimidinyl]methyl]-2-methyl-2-[4-(1-pyrrolidinyl)phenyl]propanamide IUPAC Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-2-methyl-2-(4-pyrrolidin-1-ylphenyl)propanamide Traditional Name: N-[[2-cyano-4-(neopentylamino)pyrimidin-5-yl]methyl]-2-methyl-2-(4-pyrrolidinophenyl)propionamide Formula: C25H34N6O MolecularWeight: 434.57706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N6O/c1-24(2,3)17-29-22-18(15-27-21(14-26)30-22)16-28-23(32)25(4,5)19-8-10-20(11-9-19)31-12-6-7-13-31/h8-11,15H,6-7,12-13,16-17H2,1-5H3,(H,28,32)(H,27,29,30)