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9-(2-hydroxyethyl)-2-[[3-(trifluoromethyl)phenyl]amino]-3H-purin-6-one
9-(2-hydroxyethyl)-2-[[3-(trifluoromethyl)phenyl]amino]-3H-purin-6-one
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Descriptors Computed from Structure
Canonical SMILES:
C1=CC(=CC(=C1)NC2=NC(=O)C3=C(N2)N(C=N3)CCO)C(F)(F)F
Isomeric SMILES
C1=CC(=CC(=C1)NC2=NC(=O)C3=C(N2)N(C=N3)CCO)C(F)(F)F
InChI
InChI=1S/C14H12F3N5O2/c15-14(16,17)8-2-1-3-9(6-8)19-13-20-11-10(12(24)21-13)18-7-22(11)4-5-23/h1-3,6-7,23H,4-5H2,(H2,19,20,21,24)
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