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

Systemtic Name: methyl 5-methyl-4-oxidanylidene-2-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[4-(1-ethylpropyl)pyridin-1-ium-1-yl]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[(4-pentan-3-yl-1-pyridin-1-iumyl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-oxo-2-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[4-(1-ethylpropyl)pyridin-1-ium-1-yl]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-5-13(6-2)14-7-9-23(10-8-14)11-15-21-18(24)16-12(3)17(20(25)26-4)27-19(16)22-15/h7-10,13H,5-6,11H2,1-4H3/p+1