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1-methyl-7-(phenylmethyl)-8-(trifluoromethyl)-3H-purine-2,6-dione

1-methyl-7-(phenylmethyl)-8-(trifluoromethyl)-3H-purine-2,6-dione

Systemtic Name:1-methyl-7-(phenylmethyl)-8-(trifluoromethyl)-3H-purine-2,6-dione
Openeye Name:7-benzyl-1-methyl-8-(trifluoromethyl)-3H-purine-2,6-dione
CAS Name:1-methyl-7-(phenylmethyl)-8-(trifluoromethyl)-3H-purine-2,6-dione
IUPAC Name:7-benzyl-1-methyl-8-(trifluoromethyl)-3H-purine-2,6-dione
Traditional Name:7-benzyl-1-methyl-8-(trifluoromethyl)xanthine
Formula: C14H11F3N4O2
MolecularWeight: 324.25795
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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NC1=O)N=C(N2CC3=CC=CC=C3)C(F)(F)F


Isomeric SMILES

CN1C(=O)C2=C(NC1=O)N=C(N2CC3=CC=CC=C3)C(F)(F)F


InChI

InChI=1S/C14H11F3N4O2/c1-20-11(22)9-10(19-13(20)23)18-12(14(15,16)17)21(9)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,19,23)


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