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

Systemtic Name: ethyl 5-methyl-2-[1-(1-methylimidazol-2-yl)sulfanylethyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-2-[1-(1-methylimidazol-2-yl)sulfanylethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[1-[(1-methyl-2-imidazolyl)thio]ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[1-(1-methylimidazol-2-yl)sulfanylethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[1-[(1-methylimidazol-2-yl)thio]ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H18N4O3S2 MolecularWeight: 378.46912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)SC3=NC=CN3C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)SC3=NC=CN3C)C

InChI

InChI=1S/C16H18N4O3S2/c1-5-23-15(22)11-8(2)10-13(21)18-12(19-14(10)25-11)9(3)24-16-17-6-7-20(16)4/h6-7,9H,5H2,1-4H3,(H,18,19,21)