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

Systemtic Name: ethyl (4S)-6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(4-ethyl-1-piperazin-4-iumyl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H29N4O3+ MolecularWeight: 373.46926

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=C(C(NC(=O)N2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=C([C@@H](NC(=O)N2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C20H28N4O3/c1-3-23-10-12-24(13-11-23)14-16-17(19(25)27-4-2)18(22-20(26)21-16)15-8-6-5-7-9-15/h5-9,18H,3-4,10-14H2,1-2H3,(H2,21,22,26)/p+1/t18-/m0/s1