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

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-2-[(3-oxidanylpyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C16H16N3O4S+ MolecularWeight: 346.38094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C[N+]3=CC=CC(=C3)O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C[N+]3=CC=CC(=C3)O)C

InChI

InChI=1S/C16H15N3O4S/c1-3-23-16(22)13-9(2)12-14(21)17-11(18-15(12)24-13)8-19-6-4-5-10(20)7-19/h4-7H,3,8H2,1-2H3,(H-,17,18,20,21,22)/p+1