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1-methyl-8-[2-(trifluoromethyl)phenyl]purine-2,6-dione

1-methyl-8-[2-(trifluoromethyl)phenyl]purine-2,6-dione

Systemtic Name:1-methyl-8-[2-(trifluoromethyl)phenyl]purine-2,6-dione
Openeye Name:1-methyl-8-[2-(trifluoromethyl)phenyl]purine-2,6-dione
CAS Name:1-methyl-8-[2-(trifluoromethyl)phenyl]purine-2,6-dione
IUPAC Name:1-methyl-8-[2-(trifluoromethyl)phenyl]purine-2,6-dione
Traditional Name:1-methyl-8-[2-(trifluoromethyl)phenyl]xanthine
Formula: C13H7F3N4O2
MolecularWeight: 308.21549
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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=NC(=NC2=NC1=O)C3=CC=CC=C3C(F)(F)F


Isomeric SMILES

CN1C(=O)C2=NC(=NC2=NC1=O)C3=CC=CC=C3C(F)(F)F


InChI

InChI=1S/C13H7F3N4O2/c1-20-11(21)8-10(19-12(20)22)18-9(17-8)6-4-2-3-5-7(6)13(14,15)16/h2-5H,1H3


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