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

Systemtic Name: ethyl 6-(2,5-dimethoxyphenyl)-3-ethyl-2-oxidanylidene-4-[(4-thiophen-2-ylcarbonylpiperazin-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(2,5-dimethoxyphenyl)-3-ethyl-2-oxo-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2,5-dimethoxyphenyl)-3-ethyl-2-oxo-4-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2,5-dimethoxyphenyl)-3-ethyl-2-oxo-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(2,5-dimethoxyphenyl)-3-ethyl-2-keto-4-[[4-(2-thenoyl)piperazino]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H34N4O6S MolecularWeight: 542.64706

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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(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=C(C=CC(=C2)OC)OC)C(=O)OCC)CN3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C27H34N4O6S/c1-5-31-20(17-29-11-13-30(14-12-29)25(32)22-8-7-15-38-22)23(26(33)37-6-2)24(28-27(31)34)19-16-18(35-3)9-10-21(19)36-4/h7-10,15-16,24H,5-6,11-14,17H2,1-4H3,(H,28,34)