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

Systemtic Name: phenethyl 5-methyl-4-[[4-(pyridin-2-ylsulfamoyl)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 5-methyl-4-[4-(2-pyridylsulfamoyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[4-(2-pyridinylsulfamoyl)anilino]-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-4-[4-(pyridin-2-ylsulfamoyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[4-(2-pyridylsulfamoyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C27H23N5O4S2 MolecularWeight: 545.63262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=N4)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=N4)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C27H23N5O4S2/c1-18-23-25(31-20-10-12-21(13-11-20)38(34,35)32-22-9-5-6-15-28-22)29-17-30-26(23)37-24(18)27(33)36-16-14-19-7-3-2-4-8-19/h2-13,15,17H,14,16H2,1H3,(H,28,32)(H,29,30,31)