3-methyl-1-(2-methylpropyl)-5-(3-oxidanylpropylsulfanyl)-6-[2-(trifluoromethyl)phenyl]carbonyl-thieno[2,3-d]pyrimidine-2,4-dione

Systemtic Name: 3-methyl-1-(2-methylpropyl)-5-(3-oxidanylpropylsulfanyl)-6-[2-(trifluoromethyl)phenyl]carbonyl-thieno[2,3-d]pyrimidine-2,4-dione Openeye Name: 5-(3-hydroxypropylsulfanyl)-1-isobutyl-3-methyl-6-[2-(trifluoromethyl)benzoyl]thieno[2,3-d]pyrimidine-2,4-dione CAS Name: 5-(3-hydroxypropylthio)-3-methyl-1-(2-methylpropyl)-6-[oxo-[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione IUPAC Name: 5-(3-hydroxypropylsulfanyl)-3-methyl-1-(2-methylpropyl)-6-[2-(trifluoromethyl)benzoyl]thieno[2,3-d]pyrimidine-2,4-dione Traditional Name: 5-(3-hydroxypropylthio)-1-isobutyl-3-methyl-6-[2-(trifluoromethyl)benzoyl]thieno[2,3-d]pyrimidine-2,4-quinone Formula: C22H23F3N2O4S2 MolecularWeight: 500.55423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=C(S2)C(=O)C3=CC=CC=C3C(F)(F)F)SCCCO)C(=O)N(C1=O)C

Isomeric SMILES

CC(C)CN1C2=C(C(=C(S2)C(=O)C3=CC=CC=C3C(F)(F)F)SCCCO)C(=O)N(C1=O)C

InChI

InChI=1S/C22H23F3N2O4S2/c1-12(2)11-27-20-15(19(30)26(3)21(27)31)17(32-10-6-9-28)18(33-20)16(29)13-7-4-5-8-14(13)22(23,24)25/h4-5,7-8,12,28H,6,9-11H2,1-3H3