5-(8-bromanyl-5-oxidanylidene-1H-[1,2,4]triazolo[3,4-f]purin-6-yl)pentanenitrile

Systemtic Name: 5-(8-bromanyl-5-oxidanylidene-1H-[1,2,4]triazolo[3,4-f]purin-6-yl)pentanenitrile Openeye Name: 5-(8-bromo-5-oxo-1H-[1,2,4]triazolo[3,4-f]purin-6-yl)pentanenitrile CAS Name: 5-(8-bromo-5-oxo-1H-[1,2,4]triazolo[3,4-f]purin-6-yl)pentanenitrile IUPAC Name: 5-(8-bromo-5-oxo-1H-[1,2,4]triazolo[3,4-f]purin-6-yl)pentanenitrile Traditional Name: 5-(8-bromo-5-keto-1H-[1,2,4]triazolo[3,4-f]purin-6-yl)valeronitrile Formula: C11H10BrN7O MolecularWeight: 336.1474

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Descriptors Computed from Structure

Canonical SMILES:

C1=NNC2=C3C(=NC(=N3)Br)N(C(=O)N21)CCCCC#N

Isomeric SMILES

C1=NNC2=C3C(=NC(=N3)Br)N(C(=O)N21)CCCCC#N

InChI

InChI=1S/C11H10BrN7O/c12-10-15-7-8(16-10)18(5-3-1-2-4-13)11(20)19-6-14-17-9(7)19/h6,17H,1-3,5H2