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

Systemtic Name: ethyl 5-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H24N3O3S+ MolecularWeight: 350.45576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C[NH+]3CCC(CC3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C[NH+]3CCC(CC3)C)C

InChI

InChI=1S/C17H23N3O3S/c1-4-23-17(22)14-11(3)13-15(21)18-12(19-16(13)24-14)9-20-7-5-10(2)6-8-20/h10H,4-9H2,1-3H3,(H,18,19,21)/p+1