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

Systemtic Name: methyl 5-methyl-2-[(3-methylimidazol-3-ium-1-yl)methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-methyl-2-[(3-methylimidazol-3-ium-1-yl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[(3-methyl-1-imidazol-3-iumyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(3-methylimidazol-3-ium-1-yl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(3-methylimidazol-3-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C14H15N4O3S+ MolecularWeight: 319.3589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN3C=C[N+](=C3)C)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN3C=C[N+](=C3)C)C(=O)OC

InChI

InChI=1S/C14H14N4O3S/c1-8-10-12(19)15-9(6-18-5-4-17(2)7-18)16-13(10)22-11(8)14(20)21-3/h4-5,7H,6H2,1-3H3/p+1