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

Systemtic Name: ethyl 4-[(4-cyclobutylcarbonyl-1,4-diazepan-1-yl)methyl]-6-(2,5-dimethoxyphenyl)-3-ethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl]-6-(2,5-dimethoxyphenyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[cyclobutyl(oxo)methyl]-1,4-diazepan-1-yl]methyl]-6-(2,5-dimethoxyphenyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl]-6-(2,5-dimethoxyphenyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl]-6-(2,5-dimethoxyphenyl)-3-ethyl-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C28H40N4O6 MolecularWeight: 528.6404

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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)C4CCC4

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=C(C=CC(=C2)OC)OC)C(=O)OCC)CN3CCCN(CC3)C(=O)C4CCC4

InChI

InChI=1S/C28H40N4O6/c1-5-32-22(18-30-13-8-14-31(16-15-30)26(33)19-9-7-10-19)24(27(34)38-6-2)25(29-28(32)35)21-17-20(36-3)11-12-23(21)37-4/h11-12,17,19,25H,5-10,13-16,18H2,1-4H3,(H,29,35)