2-bromanyl-4-pentyl-8-(phenylmethyl)-7H-[1,2,4]triazolo[5,1-f]purin-5-one

Systemtic Name: 2-bromanyl-4-pentyl-8-(phenylmethyl)-7H-[1,2,4]triazolo[5,1-f]purin-5-one Openeye Name: 8-benzyl-2-bromo-4-pentyl-7H-[1,2,4]triazolo[5,1-f]purin-5-one CAS Name: 2-bromo-4-pentyl-8-(phenylmethyl)-7H-[1,2,4]triazolo[5,1-f]purin-5-one IUPAC Name: 8-benzyl-2-bromo-4-pentyl-7H-[1,2,4]triazolo[5,1-f]purin-5-one Traditional Name: 4-amyl-8-benzyl-2-bromo-7H-[1,2,4]triazolo[5,1-f]purin-5-one Formula: C18H19BrN6O MolecularWeight: 415.28706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=NC(=NC2=C3N=C(NN3C1=O)CC4=CC=CC=C4)Br

Isomeric SMILES

CCCCCN1C2=NC(=NC2=C3N=C(NN3C1=O)CC4=CC=CC=C4)Br

InChI

InChI=1S/C18H19BrN6O/c1-2-3-7-10-24-15-14(21-17(19)22-15)16-20-13(23-25(16)18(24)26)11-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3,(H,20,23)