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

Systemtic Name: 2-[1,7-dimethyl-8-nitro-2,6-bis(oxidanylidene)purin-3-yl]ethanamide Openeye Name: 2-(1,7-dimethyl-8-nitro-2,6-dioxo-purin-3-yl)acetamide CAS Name: 2-(1,7-dimethyl-8-nitro-2,6-dioxo-3-purinyl)acetamide IUPAC Name: 2-(1,7-dimethyl-8-nitro-2,6-dioxopurin-3-yl)acetamide Traditional Name: 2-(2,6-diketo-1,7-dimethyl-8-nitro-purin-3-yl)acetamide Formula: C9H10N6O5 MolecularWeight: 282.2129

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N6O5/c1-12-5-6(11-8(12)15(19)20)14(3-4(10)16)9(18)13(2)7(5)17/h3H2,1-2H3,(H2,10,16)