1-oxidanyl-9-[[3-(trifluoromethyl)phenyl]methyl]purin-6-imine

Systemtic Name: 1-oxidanyl-9-[[3-(trifluoromethyl)phenyl]methyl]purin-6-imine Openeye Name: 1-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]purin-6-imine CAS Name: 1-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]-6-purinimine IUPAC Name: 1-hydroxy-9-[[3-(trifluoromethyl)phenyl]methyl]purin-6-imine Traditional Name: [1-hydroxy-9-[3-(trifluoromethyl)benzyl]purin-6-ylidene]amine Formula: C13H10F3N5O MolecularWeight: 309.24661

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CN2C=NC3=C2N=CN(C3=N)O

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CN2C=NC3=C2N=CN(C3=N)O

InChI

InChI=1S/C13H10F3N5O/c14-13(15,16)9-3-1-2-8(4-9)5-20-6-18-10-11(17)21(22)7-19-12(10)20/h1-4,6-7,17,22H,5H2