4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: 4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: 4-[5-[(3-fluorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-N-[4-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-[5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: 4-[5-(3-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=C4)F

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)SC)CC4=CC(=CC=C4)F

InChI

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