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

Systemtic Name: ethyl 4-[(4-cyclobutylcarbonyl-3-methyl-piperazin-1-yl)methyl]-6-(2,3-dimethoxyphenyl)-3-ethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[[4-(cyclobutanecarbonyl)-3-methyl-piperazin-1-yl]methyl]-6-(2,3-dimethoxyphenyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-[cyclobutyl(oxo)methyl]-3-methyl-1-piperazinyl]methyl]-6-(2,3-dimethoxyphenyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(cyclobutanecarbonyl)-3-methylpiperazin-1-yl]methyl]-6-(2,3-dimethoxyphenyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[4-(cyclobutanecarbonyl)-3-methyl-piperazino]methyl]-6-(2,3-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)CN3CCN(C(C3)C)C(=O)C4CCC4

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=C(C(=CC=C2)OC)OC)C(=O)OCC)CN3CCN(C(C3)C)C(=O)C4CCC4

InChI

InChI=1S/C28H40N4O6/c1-6-31-21(17-30-14-15-32(18(3)16-30)26(33)19-10-8-11-19)23(27(34)38-7-2)24(29-28(31)35)20-12-9-13-22(36-4)25(20)37-5/h9,12-13,18-19,24H,6-8,10-11,14-17H2,1-5H3,(H,29,35)