ethyl 2-[1-(diethylcarbamothioylsulfanyl)ethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[1-(diethylcarbamothioylsulfanyl)ethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[1-(diethylcarbamothioylsulfanyl)ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[1-[[diethylamino(sulfanylidene)methyl]thio]ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(diethylcarbamothioylsulfanyl)ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[1-(diethylthiocarbamoylthio)ethyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H23N3O3S3 MolecularWeight: 413.57782

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SC(C)C1=NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)N1

Isomeric SMILES

CCN(CC)C(=S)SC(C)C1=NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)N1

InChI

InChI=1S/C17H23N3O3S3/c1-6-20(7-2)17(24)25-10(5)13-18-14(21)11-9(4)12(16(22)23-8-3)26-15(11)19-13/h10H,6-8H2,1-5H3,(H,18,19,21)