phenethyl 4-[[4-(butylcarbamoylsulfamoyl)phenyl]amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: phenethyl 4-[[4-(butylcarbamoylsulfamoyl)phenyl]amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 4-[4-(butylcarbamoylsulfamoyl)anilino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[4-[[butylamino(oxo)methyl]sulfamoyl]anilino]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 4-[4-(butylcarbamoylsulfamoyl)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[4-(butylcarbamoylsulfamoyl)anilino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C27H29N5O5S2 MolecularWeight: 567.67966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCCC4=CC=CC=C4)C

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC2=C3C(=C(SC3=NC=N2)C(=O)OCCC4=CC=CC=C4)C

InChI

InChI=1S/C27H29N5O5S2/c1-3-4-15-28-27(34)32-39(35,36)21-12-10-20(11-13-21)31-24-22-18(2)23(38-25(22)30-17-29-24)26(33)37-16-14-19-8-6-5-7-9-19/h5-13,17H,3-4,14-16H2,1-2H3,(H2,28,32,34)(H,29,30,31)