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

Systemtic Name: ethyl 4-[(4-cyclopentylcarbonyl-1,4-diazepan-1-yl)methyl]-6-(2,4-dimethoxyphenyl)-3-ethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]methyl]-6-(2,4-dimethoxyphenyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[cyclopentyl(oxo)methyl]-1,4-diazepan-1-yl]methyl]-6-(2,4-dimethoxyphenyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]methyl]-6-(2,4-dimethoxyphenyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]methyl]-6-(2,4-dimethoxyphenyl)-3-ethyl-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C29H42N4O6 MolecularWeight: 542.66698

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=C(C=C(C=C2)OC)OC)C(=O)OCC)CN3CCCN(CC3)C(=O)C4CCCC4

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=C(C=C(C=C2)OC)OC)C(=O)OCC)CN3CCCN(CC3)C(=O)C4CCCC4

InChI

InChI=1S/C29H42N4O6/c1-5-33-23(19-31-14-9-15-32(17-16-31)27(34)20-10-7-8-11-20)25(28(35)39-6-2)26(30-29(33)36)22-13-12-21(37-3)18-24(22)38-4/h12-13,18,20,26H,5-11,14-17,19H2,1-4H3,(H,30,36)