8-bromanyl-6-pentyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one

Systemtic Name: 8-bromanyl-6-pentyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one Openeye Name: 8-bromo-6-pentyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one CAS Name: 8-bromo-6-pentyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one IUPAC Name: 8-bromo-6-pentyl-1H-[1,2,4]triazolo[3,4-f]purin-5-one Traditional Name: 6-amyl-8-bromo-1H-[1,2,4]triazolo[3,4-f]purin-5-one Formula: C11H13BrN6O MolecularWeight: 325.16452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=NC(=NC2=C3NN=CN3C1=O)Br

Isomeric SMILES

CCCCCN1C2=NC(=NC2=C3NN=CN3C1=O)Br

InChI

InChI=1S/C11H13BrN6O/c1-2-3-4-5-17-8-7(14-10(12)15-8)9-16-13-6-18(9)11(17)19/h6,16H,2-5H2,1H3