2-[(2,2-dimethyl-3-phenylsulfanyl-propyl)amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-yl-pyrimidin-4-one

Systemtic Name: 2-[(2,2-dimethyl-3-phenylsulfanyl-propyl)amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-yl-pyrimidin-4-one Openeye Name: 2-[(2,2-dimethyl-3-phenylsulfanyl-propyl)amino]-5-(4-fluorophenyl)-3-methyl-6-(4-pyridyl)pyrimidin-4-one CAS Name: 2-[[2,2-dimethyl-3-(phenylthio)propyl]amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-yl-4-pyrimidinone IUPAC Name: 2-[(2,2-dimethyl-3-phenylsulfanylpropyl)amino]-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one Traditional Name: 2-[[2,2-dimethyl-3-(phenylthio)propyl]amino]-5-(4-fluorophenyl)-3-methyl-6-(4-pyridyl)pyrimidin-4-one Formula: C27H27FN4OS MolecularWeight: 474.592883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=NC(=C(C(=O)N1C)C2=CC=C(C=C2)F)C3=CC=NC=C3)CSC4=CC=CC=C4

Isomeric SMILES

CC(C)(CNC1=NC(=C(C(=O)N1C)C2=CC=C(C=C2)F)C3=CC=NC=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C27H27FN4OS/c1-27(2,18-34-22-7-5-4-6-8-22)17-30-26-31-24(20-13-15-29-16-14-20)23(25(33)32(26)3)19-9-11-21(28)12-10-19/h4-16H,17-18H2,1-3H3,(H,30,31)