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

Systemtic Name: ethyl 6-(2,3-dimethoxyphenyl)-3-ethyl-2-oxidanylidene-4-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)methyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(2,3-dimethoxyphenyl)-3-ethyl-2-oxo-4-[[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2,3-dimethoxyphenyl)-3-ethyl-2-oxo-4-[[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2,3-dimethoxyphenyl)-3-ethyl-2-oxo-4-[[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(2,3-dimethoxyphenyl)-3-ethyl-2-keto-4-[[4-(2-thenoyl)-1,4-diazepan-1-yl]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)CN3CCCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=C(C(=CC=C2)OC)OC)C(=O)OCC)CN3CCCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C28H36N4O6S/c1-5-32-20(18-30-13-9-14-31(16-15-30)26(33)22-12-8-17-39-22)23(27(34)38-6-2)24(29-28(32)35)19-10-7-11-21(36-3)25(19)37-4/h7-8,10-12,17,24H,5-6,9,13-16,18H2,1-4H3,(H,29,35)