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3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]benzenecarbonitrile
3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]benzenecarbonitrile
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Descriptors Computed from Structure
Canonical SMILES:
C1CC1NC2=NC(=NC3=C2N=CN3C4=CC=CC(=C4)C#N)C(F)(F)F
Isomeric SMILES
C1CC1NC2=NC(=NC3=C2N=CN3C4=CC=CC(=C4)C#N)C(F)(F)F
InChI
InChI=1S/C16H11F3N6/c17-16(18,19)15-23-13(22-10-4-5-10)12-14(24-15)25(8-21-12)11-3-1-2-9(6-11)7-20/h1-3,6,8,10H,4-5H2,(H,22,23,24)
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