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

Systemtic Name: [8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl nitrate Openeye Name: (8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl nitrate CAS Name: nitric acid (8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)methyl ester IUPAC Name: (8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)methyl nitrate Traditional Name: nitric acid (8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)methyl ester Formula: C8H8ClN5O5 MolecularWeight: 289.63262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8ClN5O5/c1-11-5-4(6(15)12(2)8(11)16)13(7(9)10-5)3-19-14(17)18/h3H2,1-2H3