ethyl 2-[(N,N'-diethylcarbamimidoyl)sulfanylmethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[(N,N'-diethylcarbamimidoyl)sulfanylmethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(N,N'-diethylcarbamimidoyl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[[ethylamino(ethylimino)methyl]thio]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(N,N'-diethylcarbamimidoyl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(N,N'-diethylamidino)thio]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H22N4O3S2 MolecularWeight: 382.50088

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=NCC)SCC1=NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)N1

Isomeric SMILES

CCNC(=NCC)SCC1=NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)N1

InChI

InChI=1S/C16H22N4O3S2/c1-5-17-16(18-6-2)24-8-10-19-13(21)11-9(4)12(15(22)23-7-3)25-14(11)20-10/h5-8H2,1-4H3,(H,17,18)(H,19,20,21)