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

Systemtic Name: methyl 2-[(3-ethanoylpyridin-1-ium-1-yl)methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[(3-acetylpyridin-1-ium-1-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(3-acetyl-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-acetylpyridin-1-ium-1-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(3-acetylpyridin-1-ium-1-yl)methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C17H16N3O4S+ MolecularWeight: 358.39164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4S/c1-9-13-15(22)18-12(19-16(13)25-14(9)17(23)24-3)8-20-6-4-5-11(7-20)10(2)21/h4-7H,8H2,1-3H3/p+1