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

Systemtic Name: 1-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butan-2-yl nitrate Openeye Name: 1-[(1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl]propyl nitrate CAS Name: nitric acid 1-(1,3-dimethyl-2,6-dioxo-7-purinyl)butan-2-yl ester IUPAC Name: 1-(1,3-dimethyl-2,6-dioxopurin-7-yl)butan-2-yl nitrate Traditional Name: nitric acid 1-[(2,6-diketo-1,3-dimethyl-purin-7-yl)methyl]propyl ester Formula: C11H15N5O5 MolecularWeight: 297.2673

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N5O5/c1-4-7(21-16(19)20)5-15-6-12-9-8(15)10(17)14(3)11(18)13(9)2/h6-7H,4-5H2,1-3H3