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

Systemtic Name: ethyl (6S)-3-ethyl-4-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-ethyl-4-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-ethyl-4-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-ethyl-4-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-ethyl-4-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]-2-keto-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H31N4O5+ MolecularWeight: 467.53744

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=CC=C2)C(=O)OCC)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CCN1C(=C([C@@H](NC1=O)C2=CC=CC=C2)C(=O)OCC)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C25H30N4O5/c1-3-29-19(17-27-12-14-28(15-13-27)23(30)20-11-8-16-34-20)21(24(31)33-4-2)22(26-25(29)32)18-9-6-5-7-10-18/h5-11,16,22H,3-4,12-15,17H2,1-2H3,(H,26,32)/p+1/t22-/m0/s1