9-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 9-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 9-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]-1,3-dimethyl-purine-2,6-dione CAS Name: 9-[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 9-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 9-[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]-1,3-dimethyl-xanthine Formula: C18H15F3N6O4 MolecularWeight: 436.34471

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=CN2C3=NC(=NC4=CC(=C(C=C43)OC)OC)C(F)(F)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=CN2C3=NC(=NC4=CC(=C(C=C43)OC)OC)C(F)(F)F

InChI

InChI=1S/C18H15F3N6O4/c1-25-14-12(15(28)26(2)17(25)29)22-7-27(14)13-8-5-10(30-3)11(31-4)6-9(8)23-16(24-13)18(19,20)21/h5-7H,1-4H3