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

Systemtic Name: 9-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 9-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]-1,3-dimethyl-purine-2,6-dione CAS Name: 9-[7-methoxy-2-(trifluoromethyl)-4-quinazolinyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 9-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 9-[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]-1,3-dimethyl-xanthine Formula: C17H13F3N6O3 MolecularWeight: 406.31873

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=CN2C3=NC(=NC4=C3C=CC(=C4)OC)C(F)(F)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=CN2C3=NC(=NC4=C3C=CC(=C4)OC)C(F)(F)F

InChI

InChI=1S/C17H13F3N6O3/c1-24-13-11(14(27)25(2)16(24)28)21-7-26(13)12-9-5-4-8(29-3)6-10(9)22-15(23-12)17(18,19)20/h4-7H,1-3H3