ethyl (6S)-3-ethyl-4-[[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-3-ethyl-4-[[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-ethyl-4-[[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-ethyl-4-[[4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-ethyl-4-[[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-ethyl-4-[[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]-2-keto-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H39N6O3+ MolecularWeight: 495.63696

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C[NH+]2CCN(CC2)CC3=C(C(NC(=O)N3CC)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2CCN(CC2)CC3=C([C@@H](NC(=O)N3CC)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C27H38N6O3/c1-5-32-18-22(20(4)29-32)17-30-13-15-31(16-14-30)19-23-24(26(34)36-7-3)25(21-11-9-8-10-12-21)28-27(35)33(23)6-2/h8-12,18,25H,5-7,13-17,19H2,1-4H3,(H,28,35)/p+1/t25-/m0/s1