7-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-(trifluoromethyl)purine

Systemtic Name: 7-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-(trifluoromethyl)purine Openeye Name: 7-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-(trifluoromethyl)purine CAS Name: 7-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-(trifluoromethyl)purine IUPAC Name: 7-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-(trifluoromethyl)purine Traditional Name: 7-(3,5-dihydro-2H-1,4-benzodioxepin-3-yl)-6-(trifluoromethyl)purine Formula: C15H11F3N4O2 MolecularWeight: 336.26865

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OCC2=CC=CC=C2O1)N3C=NC4=NC=NC(=C43)C(F)(F)F

Isomeric SMILES

C1C(OCC2=CC=CC=C2O1)N3C=NC4=NC=NC(=C43)C(F)(F)F

InChI

InChI=1S/C15H11F3N4O2/c16-15(17,18)13-12-14(20-7-19-13)21-8-22(12)11-6-23-10-4-2-1-3-9(10)5-24-11/h1-4,7-8,11H,5-6H2