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

Systemtic Name: ethyl 4-(2-acetamidoethylamino)-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(2-acetamidoethylamino)-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(2-acetamidoethylamino)-5-methyl-2-(4-morpholin-4-iumylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-acetamidoethylamino)-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(2-acetamidoethylamino)-5-methyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H28N5O4S+ MolecularWeight: 422.52172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O4S/c1-4-28-19(26)16-12(2)15-17(21-6-5-20-13(3)25)22-14(23-18(15)29-16)11-24-7-9-27-10-8-24/h4-11H2,1-3H3,(H,20,25)(H,21,22,23)/p+1