4-[5-[(2-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[5-[(2-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: 4-[5-[(2-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: 4-[5-[(2-fluorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-N-[4-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-[5-[(2-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: 4-[5-(2-fluorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]-N-[4-(methylthio)phenyl]piperazine-1-carboxamide Formula: C25H28FN5OS MolecularWeight: 465.586123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)SC)CC4=CC=CC=C4F

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)SC)CC4=CC=CC=C4F

InChI

InChI=1S/C25H28FN5OS/c1-17-22(16-19-6-4-5-7-23(19)26)24(28-18(2)27-17)30-12-14-31(15-13-30)25(32)29-20-8-10-21(33-3)11-9-20/h4-11H,12-16H2,1-3H3,(H,29,32)