N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-4-(3-methoxy-1-piperidin-4-yl-propyl)benzamide

Systemtic Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-4-(3-methoxy-1-piperidin-4-yl-propyl)benzamide Openeye Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-4-[3-methoxy-1-(4-piperidyl)propyl]benzamide CAS Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)-5-pyrimidinyl]methyl]-4-[3-methoxy-1-(4-piperidinyl)propyl]benzamide IUPAC Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-4-(3-methoxy-1-piperidin-4-ylpropyl)benzamide Traditional Name: N-[[2-cyano-4-(neopentylamino)pyrimidin-5-yl]methyl]-4-[3-methoxy-1-(4-piperidyl)propyl]benzamide Formula: C27H38N6O2 MolecularWeight: 478.62962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC(=NC=C1CNC(=O)C2=CC=C(C=C2)C(CCOC)C3CCNCC3)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC=C1CNC(=O)C2=CC=C(C=C2)C(CCOC)C3CCNCC3)C#N

InChI

InChI=1S/C27H38N6O2/c1-27(2,3)18-32-25-22(16-30-24(15-28)33-25)17-31-26(34)21-7-5-19(6-8-21)23(11-14-35-4)20-9-12-29-13-10-20/h5-8,16,20,23,29H,9-14,17-18H2,1-4H3,(H,31,34)(H,30,32,33)