ethyl 4-(2-hydroxyethylsulfanyl)-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-(2-hydroxyethylsulfanyl)-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(2-hydroxyethylsulfanyl)-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(2-hydroxyethylthio)-5-methyl-2-(1-piperidin-1-iumylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-hydroxyethylsulfanyl)-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(2-hydroxyethylthio)-5-methyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H26N3O3S2+ MolecularWeight: 396.54734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N=C2SCCO)C[NH+]3CCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N=C2SCCO)C[NH+]3CCCCC3)C

InChI

InChI=1S/C18H25N3O3S2/c1-3-24-18(23)15-12(2)14-16(25-10-9-22)19-13(20-17(14)26-15)11-21-7-5-4-6-8-21/h22H,3-11H2,1-2H3/p+1