3-[[(4,6-dimethylpyrimidin-2-yl)methylamino]methyl]-1-[(3-methylphenyl)methyl]-3-oxidanyl-piperidin-2-one

Systemtic Name: 3-[[(4,6-dimethylpyrimidin-2-yl)methylamino]methyl]-1-[(3-methylphenyl)methyl]-3-oxidanyl-piperidin-2-one Openeye Name: 3-[[(4,6-dimethylpyrimidin-2-yl)methylamino]methyl]-3-hydroxy-1-(m-tolylmethyl)piperidin-2-one CAS Name: 3-[[(4,6-dimethyl-2-pyrimidinyl)methylamino]methyl]-3-hydroxy-1-[(3-methylphenyl)methyl]-2-piperidinone IUPAC Name: 3-[[(4,6-dimethylpyrimidin-2-yl)methylamino]methyl]-3-hydroxy-1-[(3-methylphenyl)methyl]piperidin-2-one Traditional Name: 3-[[(4,6-dimethylpyrimidin-2-yl)methylamino]methyl]-3-hydroxy-1-(3-methylbenzyl)-2-piperidone Formula: C21H28N4O2 MolecularWeight: 368.47262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCCC(C2=O)(CNCC3=NC(=CC(=N3)C)C)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCCC(C2=O)(CNCC3=NC(=CC(=N3)C)C)O

InChI

InChI=1S/C21H28N4O2/c1-15-6-4-7-18(10-15)13-25-9-5-8-21(27,20(25)26)14-22-12-19-23-16(2)11-17(3)24-19/h4,6-7,10-11,22,27H,5,8-9,12-14H2,1-3H3