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

Systemtic Name: ethyl (4S)-6-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(4-acetylpiperazin-1-ium-1-yl)methyl]-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(4-acetyl-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-acetylpiperazin-1-ium-1-yl)methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(4-acetylpiperazin-1-ium-1-yl)methyl]-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H25N4O5+ MolecularWeight: 377.4149

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O5/c1-3-26-17(24)15-13(11-21-6-8-22(9-7-21)12(2)23)19-18(25)20-16(15)14-5-4-10-27-14/h4-5,10,16H,3,6-9,11H2,1-2H3,(H2,19,20,25)/p+1/t16-/m1/s1