ethyl 4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[4-(2-fluorophenyl)-1-piperazinyl]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[4-(2-fluorophenyl)piperazino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21FN4O2S MolecularWeight: 376.448343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N2CCN(CC2)C3=CC=CC=C3F)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N2CCN(CC2)C3=CC=CC=C3F)SC

InChI

InChI=1S/C18H21FN4O2S/c1-3-25-17(24)13-12-20-18(26-2)21-16(13)23-10-8-22(9-11-23)15-7-5-4-6-14(15)19/h4-7,12H,3,8-11H2,1-2H3