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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC(=C2)OC)OC)C)CN3CCCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC(=C2)OC)OC)C)CN3CCCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C27H34N4O6S/c1-5-37-26(33)23-21(17-30-9-7-10-31(12-11-30)25(32)22-8-6-13-38-22)29(2)27(34)28-24(23)18-14-19(35-3)16-20(15-18)36-4/h6,8,13-16,24H,5,7,9-12,17H2,1-4H3,(H,28,34)