ethyl (4S)-6-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(4-ethoxycarbonyl-1-piperazin-1-iumyl)methyl]-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(4-ethoxycarbonylpiperazin-1-ium-1-yl)methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(4-carbethoxypiperazin-1-ium-1-yl)methyl]-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H27N4O6+ MolecularWeight: 407.44088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)C[NH+]3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=CO2)C[NH+]3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C19H26N4O6/c1-3-27-17(24)15-13(20-18(25)21-16(15)14-6-5-11-29-14)12-22-7-9-23(10-8-22)19(26)28-4-2/h5-6,11,16H,3-4,7-10,12H2,1-2H3,(H2,20,21,25)/p+1/t16-/m1/s1