ethyl 2,5-dimethyl-4-[(4-sulfamoylphenyl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[(4-sulfamoylphenyl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[(4-sulfamoylphenyl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-[(4-sulfamoylphenyl)methylamino]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[(4-sulfamoylphenyl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2,5-dimethyl-4-[(4-sulfamoylbenzyl)amino]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H20N4O4S2 MolecularWeight: 420.5058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)NCC3=CC=C(C=C3)S(=O)(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)NCC3=CC=C(C=C3)S(=O)(=O)N)C

InChI

InChI=1S/C18H20N4O4S2/c1-4-26-18(23)15-10(2)14-16(21-11(3)22-17(14)27-15)20-9-12-5-7-13(8-6-12)28(19,24)25/h5-8H,4,9H2,1-3H3,(H2,19,24,25)(H,20,21,22)