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

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-2-[[4-(phenylmethyl)pyridin-1-ium-1-yl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(4-benzylpyridin-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-(phenylmethyl)-1-pyridin-1-iumyl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-benzylpyridin-1-ium-1-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(4-benzylpyridin-1-ium-1-yl)methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H22N3O3S+ MolecularWeight: 420.50408

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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)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C[N+]3=CC=C(C=C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H21N3O3S/c1-3-29-23(28)20-15(2)19-21(27)24-18(25-22(19)30-20)14-26-11-9-17(10-12-26)13-16-7-5-4-6-8-16/h4-12H,3,13-14H2,1-2H3/p+1