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

Systemtic Name: methyl (4S)-4-(2,5-dimethylphenyl)-6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(2,5-dimethylphenyl)-6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2,5-dimethylphenyl)-6-[(4-ethyl-1-piperazin-4-iumyl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(2,5-dimethylphenyl)-6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2,5-dimethylphenyl)-6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3/c1-5-24-8-10-25(11-9-24)13-17-18(20(26)28-4)19(23-21(27)22-17)16-12-14(2)6-7-15(16)3/h6-7,12,19H,5,8-11,13H2,1-4H3,(H2,22,23,27)/p+1/t19-/m0/s1