ethyl 4-[6-(4-fluorophenyl)sulfanyl-2-methylsulfanyl-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-(4-fluorophenyl)sulfanyl-2-methylsulfanyl-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(4-fluorophenyl)sulfanyl-2-methylsulfanyl-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-[(4-fluorophenyl)thio]-2-(methylthio)-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(4-fluorophenyl)sulfanyl-2-methylsulfanylpyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-[(4-fluorophenyl)thio]-2-(methylthio)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C18H21FN4O2S2 MolecularWeight: 408.513343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SC)SC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SC)SC3=CC=C(C=C3)F

InChI

InChI=1S/C18H21FN4O2S2/c1-3-25-18(24)23-10-8-22(9-11-23)15-12-16(21-17(20-15)26-2)27-14-6-4-13(19)5-7-14/h4-7,12H,3,8-11H2,1-2H3