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

Systemtic Name: [2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] 2-(furan-2-yl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(2-furyl)-4-methyl-6-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 2-(2-furanyl)-4-methyl-6-(methylthio)-5-pyrimidinecarboxylic acid [2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-(2-furyl)-4-methyl-6-(methylthio)pyrimidine-5-carboxylic acid [2-keto-2-[4-(2-thenoyl)piperazino]ethyl] ester Formula: C22H22N4O5S2 MolecularWeight: 486.56388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CO2)SC)C(=O)OCC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CO2)SC)C(=O)OCC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H22N4O5S2/c1-14-18(20(32-2)24-19(23-14)15-5-3-11-30-15)22(29)31-13-17(27)25-7-9-26(10-8-25)21(28)16-6-4-12-33-16/h3-6,11-12H,7-10,13H2,1-2H3