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

Systemtic Name: 3-methyl-1-(2-methylpropyl)-5-(3-oxidanylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione Openeye Name: 5-(3-hydroxypropyl)-1-isobutyl-3-methyl-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione CAS Name: 5-(3-hydroxypropyl)-3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione IUPAC Name: 5-(3-hydroxypropyl)-3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione Traditional Name: 5-(3-hydroxypropyl)-1-isobutyl-3-methyl-6-[2-(trifluoromethyl)benzyl]thieno[2,3-d]pyrimidine-2,4-quinone Formula: C22H25F3N2O3S MolecularWeight: 454.50571

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=C(S2)CC3=CC=CC=C3C(F)(F)F)CCCO)C(=O)N(C1=O)C

Isomeric SMILES

CC(C)CN1C2=C(C(=C(S2)CC3=CC=CC=C3C(F)(F)F)CCCO)C(=O)N(C1=O)C

InChI

InChI=1S/C22H25F3N2O3S/c1-13(2)12-27-20-18(19(29)26(3)21(27)30)15(8-6-10-28)17(31-20)11-14-7-4-5-9-16(14)22(23,24)25/h4-5,7,9,13,28H,6,8,10-12H2,1-3H3