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

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanenitrile Openeye Name: 2-(3-methyl-2,6-dioxo-purin-7-yl)acetonitrile CAS Name: 2-(3-methyl-2,6-dioxo-7-purinyl)acetonitrile IUPAC Name: 2-(3-methyl-2,6-dioxopurin-7-yl)acetonitrile Traditional Name: 2-(2,6-diketo-3-methyl-purin-7-yl)acetonitrile Formula: C8H7N5O2 MolecularWeight: 205.17348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7N5O2/c1-12-6-5(7(14)11-8(12)15)13(3-2-9)4-10-6/h4H,3H2,1H3,(H,11,14,15)