2-methylpropyl 4-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-methylpropyl 4-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 4-(2-chloro-5-morpholinosulfonyl-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[2-chloro-5-(4-morpholinylsulfonyl)anilino]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(2-chloro-5-morpholin-4-ylsulfonylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(2-chloro-5-morpholinosulfonyl-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C22H25ClN4O5S2 MolecularWeight: 525.0407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)Cl)C(=O)OCC(C)C

InChI

InChI=1S/C22H25ClN4O5S2/c1-13(2)11-32-22(28)19-14(3)18-20(24-12-25-21(18)33-19)26-17-10-15(4-5-16(17)23)34(29,30)27-6-8-31-9-7-27/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,24,25,26)