1,3-dimethyl-7-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]ethyl]xanthine Formula: C18H15F3N6O2S MolecularWeight: 436.41091

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C18H15F3N6O2S/c1-25-13-12(15(28)26(2)17(25)29)27(9-22-13)7-8-30-14-10-5-3-4-6-11(10)23-16(24-14)18(19,20)21/h3-6,9H,7-8H2,1-2H3