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

Systemtic Name: 4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: 4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: 4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl]-N-[4-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-[5-ethyl-2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: 4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-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:

CCC1=C(N=C(N=C1N2CCN(CC2)C(=O)NC3=CC=C(C=C3)SC)C4=CC(=CC=C4)F)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2CCN(CC2)C(=O)NC3=CC=C(C=C3)SC)C4=CC(=CC=C4)F)C

InChI

InChI=1S/C25H28FN5OS/c1-4-22-17(2)27-23(18-6-5-7-19(26)16-18)29-24(22)30-12-14-31(15-13-30)25(32)28-20-8-10-21(33-3)11-9-20/h5-11,16H,4,12-15H2,1-3H3,(H,28,32)