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

Systemtic Name: 5-methyl-4-[(4-methylphenyl)sulfonylamino]-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-2-(morpholin-4-ium-4-ylmethyl)-4-(p-tolylsulfonylamino)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[(4-methylphenyl)sulfonylamino]-2-(4-morpholin-4-iumylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 5-methyl-4-[(4-methylphenyl)sulfonylamino]-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-2-(morpholin-4-ium-4-ylmethyl)-4-(tosylamino)thieno[2,3-d]pyrimidine-6-carboxylate Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=C(SC3=NC(=N2)C[NH+]4CCOCC4)C(=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=C(SC3=NC(=N2)C[NH+]4CCOCC4)C(=O)[O-])C

InChI

InChI=1S/C20H22N4O5S2/c1-12-3-5-14(6-4-12)31(27,28)23-18-16-13(2)17(20(25)26)30-19(16)22-15(21-18)11-24-7-9-29-10-8-24/h3-6H,7-11H2,1-2H3,(H,25,26)(H,21,22,23)