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

Systemtic Name: ethyl 5-methyl-4-(2-methylbutan-2-ylamino)-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(1,1-dimethylpropylamino)-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(2-methylbutan-2-ylamino)-2-(4-morpholin-4-iumylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(2-methylbutan-2-ylamino)-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(tert-amylamino)-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H31N4O3S+ MolecularWeight: 407.55014

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC1=C2C(=C(SC2=NC(=N1)C[NH+]3CCOCC3)C(=O)OCC)C

Isomeric SMILES

CCC(C)(C)NC1=C2C(=C(SC2=NC(=N1)C[NH+]3CCOCC3)C(=O)OCC)C

InChI

InChI=1S/C20H30N4O3S/c1-6-20(4,5)23-17-15-13(3)16(19(25)27-7-2)28-18(15)22-14(21-17)12-24-8-10-26-11-9-24/h6-12H2,1-5H3,(H,21,22,23)/p+1