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

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

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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)C4CCCC4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=C(C(=CC=C2)OC)OC)C)CN3CCCN(CC3)C(=O)C4CCCC4

InChI

InChI=1S/C28H40N4O6/c1-5-38-27(34)23-21(18-31-14-9-15-32(17-16-31)26(33)19-10-6-7-11-19)30(2)28(35)29-24(23)20-12-8-13-22(36-3)25(20)37-4/h8,12-13,19,24H,5-7,9-11,14-18H2,1-4H3,(H,29,35)