2-tert-butyl-N-(2-fluoranyl-5-methylsulfonyl-phenyl)-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 2-tert-butyl-N-(2-fluoranyl-5-methylsulfonyl-phenyl)-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-tert-butyl-N-(2-fluoro-5-methylsulfonyl-phenyl)-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-tert-butyl-N-(2-fluoro-5-methylsulfonylphenyl)-4,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2-tert-butyl-N-(2-fluoro-5-methylsulfonylphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-tert-butyl-N-(2-fluoro-5-mesyl-phenyl)-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H22FN3O3S2 MolecularWeight: 435.535383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)C)C(C)(C)C)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)F

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)C)C(C)(C)C)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)F

InChI

InChI=1S/C20H22FN3O3S2/c1-10-15-11(2)22-19(20(3,4)5)24-18(15)28-16(10)17(25)23-14-9-12(29(6,26)27)7-8-13(14)21/h7-9H,1-6H3,(H,23,25)