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

Systemtic Name: ethyl (4S,5S)-2-(4-methylpiperazin-4-ium-1-yl)-6-oxidanylidene-4-thiophen-2-yl-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S,5S)-2-(4-methylpiperazin-4-ium-1-yl)-6-oxo-4-(2-thienyl)-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S,5S)-2-(4-methyl-1-piperazin-4-iumyl)-6-oxo-4-thiophen-2-yl-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S)-2-(4-methylpiperazin-4-ium-1-yl)-6-oxo-4-thiophen-2-yl-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S,5S)-6-keto-2-(4-methylpiperazin-4-ium-1-yl)-4-(2-thienyl)-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H23N4O3S+ MolecularWeight: 351.44382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N=C(NC1=O)N2CC[NH+](CC2)C)C3=CC=CS3

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](N=C(NC1=O)N2CC[NH+](CC2)C)C3=CC=CS3

InChI

InChI=1S/C16H22N4O3S/c1-3-23-15(22)12-13(11-5-4-10-24-11)17-16(18-14(12)21)20-8-6-19(2)7-9-20/h4-5,10,12-13H,3,6-9H2,1-2H3,(H,17,18,21)/p+1/t12-,13+/m0/s1