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3-methyl-9-pentyl-7-(trifluoromethyl)-6H-[1,2,4]triazolo[4,3-a]purin-5-one

3-methyl-9-pentyl-7-(trifluoromethyl)-6H-[1,2,4]triazolo[4,3-a]purin-5-one

Systemtic Name:3-methyl-9-pentyl-7-(trifluoromethyl)-6H-[1,2,4]triazolo[4,3-a]purin-5-one
Openeye Name:3-methyl-9-pentyl-7-(trifluoromethyl)-6H-[1,2,4]triazolo[4,3-a]purin-5-one
CAS Name:3-methyl-9-pentyl-7-(trifluoromethyl)-6H-[1,2,4]triazolo[4,3-a]purin-5-one
IUPAC Name:3-methyl-9-pentyl-7-(trifluoromethyl)-6H-[1,2,4]triazolo[4,3-a]purin-5-one
Traditional Name:9-amyl-3-methyl-7-(trifluoromethyl)-6H-[1,2,4]triazolo[4,3-a]purin-5-one
Formula: C13H15F3N6O
MolecularWeight: 328.29301
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C(=O)N3C1=NN=C3C)NC(=N2)C(F)(F)F


Isomeric SMILES

CCCCCN1C2=C(C(=O)N3C1=NN=C3C)NC(=N2)C(F)(F)F


InChI

InChI=1S/C13H15F3N6O/c1-3-4-5-6-21-9-8(17-11(18-9)13(14,15)16)10(23)22-7(2)19-20-12(21)22/h3-6H2,1-2H3,(H,17,18)


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