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

Systemtic Name: ethyl 4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]thio]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4S2/c1-4-29-20(27)17-13-22-21(30-3)23-19(17)31-14-18(26)25-11-9-24(10-12-25)15-5-7-16(28-2)8-6-15/h5-8,13H,4,9-12,14H2,1-3H3