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

Systemtic Name: 2-methylpropyl 5-methyl-4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C22H22N6O4S2 MolecularWeight: 498.57788

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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=NC=CC=N4)C(=O)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O4S2/c1-13(2)11-32-21(29)18-14(3)17-19(25-12-26-20(17)33-18)27-15-5-7-16(8-6-15)34(30,31)28-22-23-9-4-10-24-22/h4-10,12-13H,11H2,1-3H3,(H,23,24,28)(H,25,26,27)