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1-(4-bromophenyl)-9-methyl-2-[2,3,4-tris(fluoranyl)phenoxy]purin-6-one
1-(4-bromophenyl)-9-methyl-2-[2,3,4-tris(fluoranyl)phenoxy]purin-6-one
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Descriptors Computed from Structure
Canonical SMILES:
CN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Br)OC4=C(C(=C(C=C4)F)F)F
Isomeric SMILES
CN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Br)OC4=C(C(=C(C=C4)F)F)F
InChI
InChI=1S/C18H10BrF3N4O2/c1-25-8-23-15-16(25)24-18(28-12-7-6-11(20)13(21)14(12)22)26(17(15)27)10-4-2-9(19)3-5-10/h2-8H,1H3
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