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

Systemtic Name: ethyl 4-[(4-cyclobutylcarbonyl-1,4-diazepan-1-yl)methyl]-6-(2,3-dimethoxyphenyl)-3-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl]-6-(2,3-dimethoxyphenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[cyclobutyl(oxo)methyl]-1,4-diazepan-1-yl]methyl]-6-(2,3-dimethoxyphenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl]-6-(2,3-dimethoxyphenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]methyl]-6-(2,3-dimethoxyphenyl)-2-keto-3-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H38N4O6 MolecularWeight: 514.61382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=C(C(=CC=C2)OC)OC)C)CN3CCCN(CC3)C(=O)C4CCC4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=C(C(=CC=C2)OC)OC)C)CN3CCCN(CC3)C(=O)C4CCC4

InChI

InChI=1S/C27H38N4O6/c1-5-37-26(33)22-20(17-30-13-8-14-31(16-15-30)25(32)18-9-6-10-18)29(2)27(34)28-23(22)19-11-7-12-21(35-3)24(19)36-4/h7,11-12,18,23H,5-6,8-10,13-17H2,1-4H3,(H,28,34)