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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=[N+](C=C1)CC2=NC3=C(C(=C(S3)C(=O)OC)C)C(=O)N2

Isomeric SMILES

CCC1=CC=[N+](C=C1)CC2=NC3=C(C(=C(S3)C(=O)OC)C)C(=O)N2

InChI

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