2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl nitrate

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl nitrate Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl nitrate CAS Name: nitric acid 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl nitrate Traditional Name: nitric acid 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl ester Formula: C9H11N5O5 MolecularWeight: 269.21414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11N5O5/c1-11-7-6(8(15)12(2)9(11)16)13(5-10-7)3-4-19-14(17)18/h5H,3-4H2,1-2H3