2-[(3-fluorophenyl)methylsulfanyl]-N,N,5-trimethyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-N,N,5-trimethyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 2-[(3-fluorophenyl)methylsulfanyl]-N,N,5-trimethyl-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 2-[(3-fluorophenyl)methylthio]-N,N,5-trimethyl-4-oxo-3-phenethyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]-N,N,5-trimethyl-4-oxo-3-phenethylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-[(3-fluorobenzyl)thio]-4-keto-N,N,5-trimethyl-3-phenethyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C25H24FN3O2S2 MolecularWeight: 481.605363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC(=CC=C3)F)CCC4=CC=CC=C4)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC(=CC=C3)F)CCC4=CC=CC=C4)C(=O)N(C)C

InChI

InChI=1S/C25H24FN3O2S2/c1-16-20-22(33-21(16)24(31)28(2)3)27-25(32-15-18-10-7-11-19(26)14-18)29(23(20)30)13-12-17-8-5-4-6-9-17/h4-11,14H,12-13,15H2,1-3H3