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

Systemtic Name: ethyl (4R,5R)-2-(4-ethylpiperazin-4-ium-1-yl)-6-oxidanylidene-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R,5R)-2-(4-ethylpiperazin-4-ium-1-yl)-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R,5R)-2-(4-ethyl-1-piperazin-4-iumyl)-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5R)-2-(4-ethylpiperazin-4-ium-1-yl)-6-oxo-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R,5R)-2-(4-ethylpiperazin-4-ium-1-yl)-6-keto-4-phenyl-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H27N4O3+ MolecularWeight: 359.44268

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O3/c1-3-22-10-12-23(13-11-22)19-20-16(14-8-6-5-7-9-14)15(17(24)21-19)18(25)26-4-2/h5-9,15-16H,3-4,10-13H2,1-2H3,(H,20,21,24)/p+1/t15-,16+/m1/s1