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

Systemtic Name: ethyl 5-methyl-2-[(4-methylpyridin-1-ium-1-yl)methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-2-[(4-methylpyridin-1-ium-1-yl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[(4-methyl-1-pyridin-1-iumyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(4-methylpyridin-1-ium-1-yl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(4-methylpyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H18N3O3S+ MolecularWeight: 344.40812

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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=C(C=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3S/c1-4-23-17(22)14-11(3)13-15(21)18-12(19-16(13)24-14)9-20-7-5-10(2)6-8-20/h5-8H,4,9H2,1-3H3/p+1