2-[1,3-dimethyl-8-nitro-2,6-bis(oxidanylidene)purin-7-yl]ethanenitrile

Systemtic Name: 2-[1,3-dimethyl-8-nitro-2,6-bis(oxidanylidene)purin-7-yl]ethanenitrile Openeye Name: 2-(1,3-dimethyl-8-nitro-2,6-dioxo-purin-7-yl)acetonitrile CAS Name: 2-(1,3-dimethyl-8-nitro-2,6-dioxo-7-purinyl)acetonitrile IUPAC Name: 2-(1,3-dimethyl-8-nitro-2,6-dioxopurin-7-yl)acetonitrile Traditional Name: 2-(2,6-diketo-1,3-dimethyl-8-nitro-purin-7-yl)acetonitrile Formula: C9H8N6O4 MolecularWeight: 264.19762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[N+](=O)[O-])CC#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[N+](=O)[O-])CC#N

InChI

InChI=1S/C9H8N6O4/c1-12-6-5(7(16)13(2)9(12)17)14(4-3-10)8(11-6)15(18)19/h4H2,1-2H3