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

Systemtic Name: methyl 5-(2-methoxy-2-oxidanylidene-ethyl)-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-(2-methoxy-2-oxo-ethyl)-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-(2-methoxy-2-oxoethyl)-2-[[(1-methyl-2-imidazolyl)thio]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-(2-methoxy-2-oxoethyl)-2-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-(2-keto-2-methoxy-ethyl)-2-[[(1-methylimidazol-2-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C16H16N4O5S2 MolecularWeight: 408.45204

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC2=NC3=C(C(=C(S3)C(=O)OC)CC(=O)OC)C(=O)N2

Isomeric SMILES

CN1C=CN=C1SCC2=NC3=C(C(=C(S3)C(=O)OC)CC(=O)OC)C(=O)N2

InChI

InChI=1S/C16H16N4O5S2/c1-20-5-4-17-16(20)26-7-9-18-13(22)11-8(6-10(21)24-2)12(15(23)25-3)27-14(11)19-9/h4-5H,6-7H2,1-3H3,(H,18,19,22)