2-bromanyl-4-pentyl-7H-[1,2,4]triazolo[5,1-f]purin-5-one

Systemtic Name: 2-bromanyl-4-pentyl-7H-[1,2,4]triazolo[5,1-f]purin-5-one Openeye Name: 2-bromo-4-pentyl-7H-[1,2,4]triazolo[5,1-f]purin-5-one CAS Name: 2-bromo-4-pentyl-7H-[1,2,4]triazolo[5,1-f]purin-5-one IUPAC Name: 2-bromo-4-pentyl-7H-[1,2,4]triazolo[5,1-f]purin-5-one Traditional Name: 4-amyl-2-bromo-7H-[1,2,4]triazolo[5,1-f]purin-5-one Formula: C11H13BrN6O MolecularWeight: 325.16452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=NC(=NC2=C3N=CNN3C1=O)Br

Isomeric SMILES

CCCCCN1C2=NC(=NC2=C3N=CNN3C1=O)Br

InChI

InChI=1S/C11H13BrN6O/c1-2-3-4-5-17-9-7(15-10(12)16-9)8-13-6-14-18(8)11(17)19/h6H,2-5H2,1H3,(H,13,14)