4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butyl nitrate

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butyl nitrate Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butyl nitrate CAS Name: nitric acid 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butyl ester IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butyl nitrate Traditional Name: nitric acid 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyl ester Formula: C11H15N5O5 MolecularWeight: 297.2673

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N5O5/c1-13-9-8(10(17)14(2)11(13)18)15(7-12-9)5-3-4-6-21-16(19)20/h7H,3-6H2,1-2H3