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1,3-dimethyl-7-[2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl]purine-2,6-dione
1,3-dimethyl-7-[2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl]purine-2,6-dione
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Descriptors Computed from Structure
Canonical SMILES:
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)C3=CC(=CC=C3)C(F)(F)F
Isomeric SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)C3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C16H13F3N4O3/c1-21-13-12(14(25)22(2)15(21)26)23(8-20-13)7-11(24)9-4-3-5-10(6-9)16(17,18)19/h3-6,8H,7H2,1-2H3
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