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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)CC#N)C

Isomeric SMILES

CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)CC#N)C

InChI

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