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

Systemtic Name: ethyl (4S,5S)-4-(4-chlorophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S,5S)-4-(4-chlorophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S,5S)-4-(4-chlorophenyl)-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-(4-chlorophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S,5S)-4-(4-chlorophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-6-keto-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H26ClN4O3+ MolecularWeight: 393.88774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClN4O3/c1-3-23-9-11-24(12-10-23)19-21-16(13-5-7-14(20)8-6-13)15(17(25)22-19)18(26)27-4-2/h5-8,15-16H,3-4,9-12H2,1-2H3,(H,21,22,25)/p+1/t15-,16+/m0/s1