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

Systemtic Name: 7-bromanyl-9-pentyl-3-phenyl-6H-[1,2,4]triazolo[4,3-a]purin-5-one Openeye Name: 7-bromo-9-pentyl-3-phenyl-6H-[1,2,4]triazolo[4,3-a]purin-5-one CAS Name: 7-bromo-9-pentyl-3-phenyl-6H-[1,2,4]triazolo[4,3-a]purin-5-one IUPAC Name: 7-bromo-9-pentyl-3-phenyl-6H-[1,2,4]triazolo[4,3-a]purin-5-one Traditional Name: 9-amyl-7-bromo-3-phenyl-6H-[1,2,4]triazolo[4,3-a]purin-5-one Formula: C17H17BrN6O MolecularWeight: 401.26048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C(=O)N3C1=NN=C3C4=CC=CC=C4)NC(=N2)Br

Isomeric SMILES

CCCCCN1C2=C(C(=O)N3C1=NN=C3C4=CC=CC=C4)NC(=N2)Br

InChI

InChI=1S/C17H17BrN6O/c1-2-3-7-10-23-14-12(19-16(18)20-14)15(25)24-13(21-22-17(23)24)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3,(H,19,20)