ethyl 6-(diethylcarbamothioylsulfanylmethyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(diethylcarbamothioylsulfanylmethyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-(diethylcarbamothioylsulfanylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[diethylamino(sulfanylidene)methyl]thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(diethylcarbamothioylsulfanylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(diethylthiocarbamoylthio)methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C13H21N3O3S2 MolecularWeight: 331.45414

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC1=C(CNC(=O)N1)C(=O)OCC

Isomeric SMILES

CCN(CC)C(=S)SCC1=C(CNC(=O)N1)C(=O)OCC

InChI

InChI=1S/C13H21N3O3S2/c1-4-16(5-2)13(20)21-8-10-9(11(17)19-6-3)7-14-12(18)15-10/h4-8H2,1-3H3,(H2,14,15,18)