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

Systemtic Name: ethyl 5-methyl-4-(2-morpholin-4-ium-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-(2-morpholin-4-ium-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[2-(4-morpholin-4-iumyl)ethylamino]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(2-morpholin-4-ium-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-(2-morpholin-4-ium-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H23N4O3S+ MolecularWeight: 351.44382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O3S/c1-3-23-16(21)13-11(2)12-14(18-10-19-15(12)24-13)17-4-5-20-6-8-22-9-7-20/h10H,3-9H2,1-2H3,(H,17,18,19)/p+1