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

Systemtic Name: 7-bromanyl-3-methylsulfonyl-9-pentyl-6H-[1,2,4]triazolo[4,3-a]purin-5-one Openeye Name: 7-bromo-3-methylsulfonyl-9-pentyl-6H-[1,2,4]triazolo[4,3-a]purin-5-one CAS Name: 7-bromo-3-methylsulfonyl-9-pentyl-6H-[1,2,4]triazolo[4,3-a]purin-5-one IUPAC Name: 7-bromo-3-methylsulfonyl-9-pentyl-6H-[1,2,4]triazolo[4,3-a]purin-5-one Traditional Name: 9-amyl-7-bromo-3-mesyl-6H-[1,2,4]triazolo[4,3-a]purin-5-one Formula: C12H15BrN6O3S MolecularWeight: 403.2549

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C(=O)N3C1=NN=C3S(=O)(=O)C)NC(=N2)Br

Isomeric SMILES

CCCCCN1C2=C(C(=O)N3C1=NN=C3S(=O)(=O)C)NC(=N2)Br

InChI

InChI=1S/C12H15BrN6O3S/c1-3-4-5-6-18-8-7(14-10(13)15-8)9(20)19-11(18)16-17-12(19)23(2,21)22/h3-6H2,1-2H3,(H,14,15)