2-tert-butyl-N-[3-(4-fluorophenyl)sulfanylpropyl]-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 2-tert-butyl-N-[3-(4-fluorophenyl)sulfanylpropyl]-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-tert-butyl-N-[3-(4-fluorophenyl)sulfanylpropyl]-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-tert-butyl-N-[3-[(4-fluorophenyl)thio]propyl]-4,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2-tert-butyl-N-[3-(4-fluorophenyl)sulfanylpropyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-tert-butyl-N-[3-[(4-fluorophenyl)thio]propyl]-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H26FN3OS2 MolecularWeight: 431.589743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)C)C(C)(C)C)C(=O)NCCCSC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)C)C(C)(C)C)C(=O)NCCCSC3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FN3OS2/c1-13-17-14(2)25-21(22(3,4)5)26-20(17)29-18(13)19(27)24-11-6-12-28-16-9-7-15(23)8-10-16/h7-10H,6,11-12H2,1-5H3,(H,24,27)