ethyl 3-ethyl-4-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl]-2-oxidanylidene-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-ethyl-4-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl]-2-oxidanylidene-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-4-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-2-oxo-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methyl]-2-oxo-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-4-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-2-oxo-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-[[4-(2-furoyl)piperazino]methyl]-2-keto-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C31H34N4O6 MolecularWeight: 558.62486

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OCC)CN4CCN(CC4)C(=O)C5=CC=CO5

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OCC)CN4CCN(CC4)C(=O)C5=CC=CO5

InChI

InChI=1S/C31H34N4O6/c1-3-35-25(21-33-15-17-34(18-16-33)29(36)26-14-9-19-40-26)27(30(37)39-4-2)28(32-31(35)38)22-10-8-13-24(20-22)41-23-11-6-5-7-12-23/h5-14,19-20,28H,3-4,15-18,21H2,1-2H3,(H,32,38)