2-[(3-azanyl-2,2-dimethyl-3-phenyl-propyl)amino]-3-methyl-6-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-one hydrochloride

Systemtic Name: 2-[(3-azanyl-2,2-dimethyl-3-phenyl-propyl)amino]-3-methyl-6-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-one hydrochloride Openeye Name: 2-[(3-amino-2,2-dimethyl-3-phenyl-propyl)amino]-3-methyl-6-(4-pyridyl)-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-one hydrochloride CAS Name: 2-[(3-amino-2,2-dimethyl-3-phenylpropyl)amino]-3-methyl-6-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-4-pyrimidinone hydrochloride IUPAC Name: 2-[(3-amino-2,2-dimethyl-3-phenylpropyl)amino]-3-methyl-6-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-one hydrochloride Traditional Name: 2-[(3-amino-2,2-dimethyl-3-phenyl-propyl)amino]-3-methyl-6-(4-pyridyl)-5-[3-(trifluoromethyl)phenyl]pyrimidin-4-one hydrochloride Formula: C28H29ClF3N5O MolecularWeight: 544.01097

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=NC(=C(C(=O)N1C)C2=CC(=CC=C2)C(F)(F)F)C3=CC=NC=C3)C(C4=CC=CC=C4)N.Cl

Isomeric SMILES

CC(C)(CNC1=NC(=C(C(=O)N1C)C2=CC(=CC=C2)C(F)(F)F)C3=CC=NC=C3)C(C4=CC=CC=C4)N.Cl

InChI

InChI=1S/C28H28F3N5O.ClH/c1-27(2,24(32)19-8-5-4-6-9-19)17-34-26-35-23(18-12-14-33-15-13-18)22(25(37)36(26)3)20-10-7-11-21(16-20)28(29,30)31;/h4-16,24H,17,32H2,1-3H3,(H,34,35);1H