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

Systemtic Name: 7-bromanyl-3-(dimethylamino)-9-pentyl-6H-[1,2,4]triazolo[4,3-a]purin-5-one Openeye Name: 7-bromo-3-(dimethylamino)-9-pentyl-6H-[1,2,4]triazolo[4,3-a]purin-5-one CAS Name: 7-bromo-3-(dimethylamino)-9-pentyl-6H-[1,2,4]triazolo[4,3-a]purin-5-one IUPAC Name: 7-bromo-3-(dimethylamino)-9-pentyl-6H-[1,2,4]triazolo[4,3-a]purin-5-one Traditional Name: 9-amyl-7-bromo-3-(dimethylamino)-6H-[1,2,4]triazolo[4,3-a]purin-5-one Formula: C13H18BrN7O MolecularWeight: 368.23232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C(=O)N3C1=NN=C3N(C)C)NC(=N2)Br

Isomeric SMILES

CCCCCN1C2=C(C(=O)N3C1=NN=C3N(C)C)NC(=N2)Br

InChI

InChI=1S/C13H18BrN7O/c1-4-5-6-7-20-9-8(15-11(14)16-9)10(22)21-12(19(2)3)17-18-13(20)21/h4-7H2,1-3H3,(H,15,16)