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

Systemtic Name: [1-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-3-nitrooxy-propan-2-yl] nitrate Openeye Name: [1-[(1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl]-2-nitrooxy-ethyl] nitrate CAS Name: nitric acid [1-(1,3-dimethyl-2,6-dioxo-7-purinyl)-3-nitrooxypropan-2-yl] ester IUPAC Name: [1-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-nitrooxypropan-2-yl] nitrate Traditional Name: nitric acid [1-[(2,6-diketo-1,3-dimethyl-purin-7-yl)methyl]-2-nitrooxy-ethyl] ester Formula: C10H12N6O8 MolecularWeight: 344.23768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N6O8/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(24-16(21)22)4-23-15(19)20/h5-6H,3-4H2,1-2H3