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

Systemtic Name: ethyl 2-[(3-ethanoylpyridin-1-ium-1-yl)methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H18N3O4S+ MolecularWeight: 372.41822

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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)C(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S/c1-4-25-18(24)15-10(2)14-16(23)19-13(20-17(14)26-15)9-21-7-5-6-12(8-21)11(3)22/h5-8H,4,9H2,1-3H3/p+1