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

Systemtic Name: ethyl 2-[(2,3-dimethylpyridin-1-ium-1-yl)methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(2,3-dimethylpyridin-1-ium-1-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(2,3-dimethyl-1-pyridin-1-iumyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2,3-dimethylpyridin-1-ium-1-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(2,3-dimethylpyridin-1-ium-1-yl)methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H20N3O3S+ MolecularWeight: 358.4347

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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(=C3C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C[N+]3=CC=CC(=C3C)C)C

InChI

InChI=1S/C18H19N3O3S/c1-5-24-18(23)15-11(3)14-16(22)19-13(20-17(14)25-15)9-21-8-6-7-10(2)12(21)4/h6-8H,5,9H2,1-4H3/p+1