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

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-2-[(4-propylpyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-2-[(4-propylpyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[(4-propyl-1-pyridin-1-iumyl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-2-[(4-propylpyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(4-propylpyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H22N3O3S+ MolecularWeight: 372.46128

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC2=NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)N2

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC2=NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)N2

InChI

InChI=1S/C19H21N3O3S/c1-4-6-13-7-9-22(10-8-13)11-14-20-17(23)15-12(3)16(19(24)25-5-2)26-18(15)21-14/h7-10H,4-6,11H2,1-3H3/p+1