ethyl 6-methyl-2-oxidanylidene-4-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-2-oxidanylidene-4-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-2-oxo-4-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-oxo-4-[2-(1-piperidin-1-iumyl)ethylthio]-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-oxo-4-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-methyl-4-(2-piperidin-1-ium-1-ylethylthio)-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C15H24N3O3S+ MolecularWeight: 326.43436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)N=C1SCC[NH+]2CCCCC2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N=C1SCC[NH+]2CCCCC2)C

InChI

InChI=1S/C15H23N3O3S/c1-3-21-14(19)12-11(2)16-15(20)17-13(12)22-10-9-18-7-5-4-6-8-18/h3-10H2,1-2H3,(H,16,17,20)/p+1