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

Systemtic Name: ethyl 4-azanyl-5-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-5-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-5-methyl-2-[2-(4-morpholin-4-iumyl)ethylthio]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-5-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-5-methyl-2-(2-morpholin-4-ium-4-ylethylthio)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H23N4O3S2+ MolecularWeight: 383.50882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SCC[NH+]3CCOCC3)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SCC[NH+]3CCOCC3)N)C

InChI

InChI=1S/C16H22N4O3S2/c1-3-23-15(21)12-10(2)11-13(17)18-16(19-14(11)25-12)24-9-6-20-4-7-22-8-5-20/h3-9H2,1-2H3,(H2,17,18,19)/p+1