7-bromanyl-3-cyclopropyl-9-pentyl-6H-[1,2,4]triazolo[4,3-a]purin-5-one

Systemtic Name: 7-bromanyl-3-cyclopropyl-9-pentyl-6H-[1,2,4]triazolo[4,3-a]purin-5-one Openeye Name: 7-bromo-3-cyclopropyl-9-pentyl-6H-[1,2,4]triazolo[4,3-a]purin-5-one CAS Name: 7-bromo-3-cyclopropyl-9-pentyl-6H-[1,2,4]triazolo[4,3-a]purin-5-one IUPAC Name: 7-bromo-3-cyclopropyl-9-pentyl-6H-[1,2,4]triazolo[4,3-a]purin-5-one Traditional Name: 9-amyl-7-bromo-3-cyclopropyl-6H-[1,2,4]triazolo[4,3-a]purin-5-one Formula: C14H17BrN6O MolecularWeight: 365.22838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C(=O)N3C1=NN=C3C4CC4)NC(=N2)Br

Isomeric SMILES

CCCCCN1C2=C(C(=O)N3C1=NN=C3C4CC4)NC(=N2)Br

InChI

InChI=1S/C14H17BrN6O/c1-2-3-4-7-20-11-9(16-13(15)17-11)12(22)21-10(8-5-6-8)18-19-14(20)21/h8H,2-7H2,1H3,(H,16,17)