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

Systemtic Name: propan-2-yl 4-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C21H23ClN4O5S2 MolecularWeight: 511.01412

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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)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O5S2/c1-12(2)31-21(27)18-13(3)17-19(23-11-24-20(17)32-18)25-16-10-14(4-5-15(16)22)33(28,29)26-6-8-30-9-7-26/h4-5,10-12H,6-9H2,1-3H3,(H,23,24,25)