[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxylate

Systemtic Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxylate Openeye Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxo-ethyl] 4-methyl-6-methylsulfanyl-2-(2-thienyl)pyrimidine-5-carboxylate CAS Name: 4-methyl-6-(methylthio)-2-thiophen-2-yl-5-pyrimidinecarboxylic acid [2-(4-ethoxycarbonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl] 4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-(methylthio)-2-(2-thienyl)pyrimidine-5-carboxylic acid [2-(4-carbethoxypiperazino)-2-keto-ethyl] ester Formula: C20H24N4O5S2 MolecularWeight: 464.55836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=C(N=C(N=C2SC)C3=CC=CS3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=C(N=C(N=C2SC)C3=CC=CS3)C

InChI

InChI=1S/C20H24N4O5S2/c1-4-28-20(27)24-9-7-23(8-10-24)15(25)12-29-19(26)16-13(2)21-17(22-18(16)30-3)14-6-5-11-31-14/h5-6,11H,4,7-10,12H2,1-3H3