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

Systemtic Name: methyl 2-(imidazol-1-ylmethyl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-(imidazol-1-ylmethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-(1-imidazolylmethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(imidazol-1-ylmethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(imidazol-1-ylmethyl)-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C13H12N4O3S MolecularWeight: 304.32438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN3C=CN=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN3C=CN=C3)C(=O)OC

InChI

InChI=1S/C13H12N4O3S/c1-7-9-11(18)15-8(5-17-4-3-14-6-17)16-12(9)21-10(7)13(19)20-2/h3-4,6H,5H2,1-2H3,(H,15,16,18)