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

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-2-[(3-phenylpyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-2-[(3-phenylpyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[(3-phenyl-1-pyridin-1-iumyl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-2-[(3-phenylpyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(3-phenylpyridin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H20N3O3S+ MolecularWeight: 406.4775

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O3S/c1-3-28-22(27)19-14(2)18-20(26)23-17(24-21(18)29-19)13-25-11-7-10-16(12-25)15-8-5-4-6-9-15/h4-12H,3,13H2,1-2H3/p+1