ethyl 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[[2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl]thio]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[[2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl]thio]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C20H23ClN4O3S2 MolecularWeight: 467.00462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1SCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1SCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)SC

InChI

InChI=1S/C20H23ClN4O3S2/c1-3-28-19(27)16-12-22-20(29-2)23-18(16)30-13-17(26)25-9-7-24(8-10-25)15-6-4-5-14(21)11-15/h4-6,11-12H,3,7-10,13H2,1-2H3