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

Systemtic Name: 7-bromanyl-9-pentyl-3-phenethyl-6H-[1,2,4]triazolo[4,3-a]purin-5-one Openeye Name: 7-bromo-9-pentyl-3-phenethyl-6H-[1,2,4]triazolo[4,3-a]purin-5-one CAS Name: 7-bromo-9-pentyl-3-phenethyl-6H-[1,2,4]triazolo[4,3-a]purin-5-one IUPAC Name: 7-bromo-9-pentyl-3-phenethyl-6H-[1,2,4]triazolo[4,3-a]purin-5-one Traditional Name: 9-amyl-7-bromo-3-phenethyl-6H-[1,2,4]triazolo[4,3-a]purin-5-one Formula: C19H21BrN6O MolecularWeight: 429.31364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C(=O)N3C1=NN=C3CCC4=CC=CC=C4)NC(=N2)Br

Isomeric SMILES

CCCCCN1C2=C(C(=O)N3C1=NN=C3CCC4=CC=CC=C4)NC(=N2)Br

InChI

InChI=1S/C19H21BrN6O/c1-2-3-7-12-25-16-15(21-18(20)22-16)17(27)26-14(23-24-19(25)26)11-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3,(H,21,22)