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

Systemtic Name: ethyl 5-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[3-(4-morpholin-4-iumyl)propylamino]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H25N4O3S+ MolecularWeight: 365.4704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O3S/c1-3-24-17(22)14-12(2)13-15(19-11-20-16(13)25-14)18-5-4-6-21-7-9-23-10-8-21/h11H,3-10H2,1-2H3,(H,18,19,20)/p+1