2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanenitrile

Systemtic Name: 2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanenitrile Openeye Name: 2-(8-bromo-3-methyl-2,6-dioxo-purin-7-yl)acetonitrile CAS Name: 2-(8-bromo-3-methyl-2,6-dioxo-7-purinyl)acetonitrile IUPAC Name: 2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)acetonitrile Traditional Name: 2-(8-bromo-2,6-diketo-3-methyl-purin-7-yl)acetonitrile Formula: C8H6BrN5O2 MolecularWeight: 284.06954

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC#N

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC#N

InChI

InChI=1S/C8H6BrN5O2/c1-13-5-4(6(15)12-8(13)16)14(3-2-10)7(9)11-5/h3H2,1H3,(H,12,15,16)