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

Systemtic Name: methyl 5-methyl-4-oxidanylidene-2-[(3-oxidanylpyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[(3-hydroxypyridin-1-ium-1-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(3-hydroxy-1-pyridin-1-iumyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-hydroxypyridin-1-ium-1-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(3-hydroxypyridin-1-ium-1-yl)methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C15H14N3O4S+ MolecularWeight: 332.35436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[N+]3=CC=CC(=C3)O)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[N+]3=CC=CC(=C3)O)C(=O)OC

InChI

InChI=1S/C15H13N3O4S/c1-8-11-13(20)16-10(7-18-5-3-4-9(19)6-18)17-14(11)23-12(8)15(21)22-2/h3-6H,7H2,1-2H3,(H-,16,17,19,20,21)/p+1