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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCO[N+](=O)[O-]

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCO[N+](=O)[O-]

InChI

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