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

Systemtic Name: ethyl 5-methyl-4-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[[2-methyl-2-(4-morpholin-4-iumyl)propyl]amino]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)amino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H27N4O3S+ MolecularWeight: 379.49698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O3S/c1-5-25-17(23)14-12(2)13-15(20-11-21-16(13)26-14)19-10-18(3,4)22-6-8-24-9-7-22/h11H,5-10H2,1-4H3,(H,19,20,21)/p+1