ethyl 6-(2,3-dimethoxyphenyl)-3-ethyl-4-[(3-methyl-4-thiophen-2-ylcarbonyl-piperazin-1-yl)methyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(2,3-dimethoxyphenyl)-3-ethyl-4-[(3-methyl-4-thiophen-2-ylcarbonyl-piperazin-1-yl)methyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(2,3-dimethoxyphenyl)-3-ethyl-4-[[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2,3-dimethoxyphenyl)-3-ethyl-4-[[3-methyl-4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2,3-dimethoxyphenyl)-3-ethyl-4-[[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(2,3-dimethoxyphenyl)-3-ethyl-2-keto-4-[[3-methyl-4-(2-thenoyl)piperazino]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C28H36N4O6S MolecularWeight: 556.67364

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=C(C(=CC=C2)OC)OC)C(=O)OCC)CN3CCN(C(C3)C)C(=O)C4=CC=CS4

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=C(C(=CC=C2)OC)OC)C(=O)OCC)CN3CCN(C(C3)C)C(=O)C4=CC=CS4

InChI

InChI=1S/C28H36N4O6S/c1-6-31-20(17-30-13-14-32(18(3)16-30)26(33)22-12-9-15-39-22)23(27(34)38-7-2)24(29-28(31)35)19-10-8-11-21(36-4)25(19)37-5/h8-12,15,18,24H,6-7,13-14,16-17H2,1-5H3,(H,29,35)