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

Systemtic Name: phenethyl 5-methyl-4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 5-methyl-4-[4-(pyrimidin-2-ylsulfamoyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[4-(2-pyrimidinylsulfamoyl)anilino]-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-4-[4-(pyrimidin-2-ylsulfamoyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[4-(2-pyrimidylsulfamoyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C26H22N6O4S2 MolecularWeight: 546.62068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H22N6O4S2/c1-17-21-23(31-19-8-10-20(11-9-19)38(34,35)32-26-27-13-5-14-28-26)29-16-30-24(21)37-22(17)25(33)36-15-12-18-6-3-2-4-7-18/h2-11,13-14,16H,12,15H2,1H3,(H,27,28,32)(H,29,30,31)