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

Systemtic Name: ethyl 4-(2-hydroxyethylsulfanyl)-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(2-hydroxyethylsulfanyl)-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(2-hydroxyethylthio)-5-methyl-2-(4-morpholin-4-iumylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-hydroxyethylsulfanyl)-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(2-hydroxyethylthio)-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H24N3O4S2+ MolecularWeight: 398.52016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N=C2SCCO)C[NH+]3CCOCC3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N=C2SCCO)C[NH+]3CCOCC3)C

InChI

InChI=1S/C17H23N3O4S2/c1-3-24-17(22)14-11(2)13-15(25-9-6-21)18-12(19-16(13)26-14)10-20-4-7-23-8-5-20/h21H,3-10H2,1-2H3/p+1