ethyl (4S,5S)-4-(2,4-dimethoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S,5S)-4-(2,4-dimethoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S,5S)-4-(2,4-dimethoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S,5S)-4-(2,4-dimethoxyphenyl)-2-(4-ethyl-1-piperazin-4-iumyl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S)-4-(2,4-dimethoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S,5S)-4-(2,4-dimethoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-6-keto-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H31N4O5+ MolecularWeight: 419.49464

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(C(C(=O)N2)C(=O)OCC)C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=N[C@@H]([C@@H](C(=O)N2)C(=O)OCC)C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C21H30N4O5/c1-5-24-9-11-25(12-10-24)21-22-18(17(19(26)23-21)20(27)30-6-2)15-8-7-14(28-3)13-16(15)29-4/h7-8,13,17-18H,5-6,9-12H2,1-4H3,(H,22,23,26)/p+1/t17-,18+/m0/s1