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

Systemtic Name: 4-[3-ethyl-1-methyl-2,6-bis(oxidanylidene)purin-7-yl]butyl nitrate Openeye Name: 4-(3-ethyl-1-methyl-2,6-dioxo-purin-7-yl)butyl nitrate CAS Name: nitric acid 4-(3-ethyl-1-methyl-2,6-dioxo-7-purinyl)butyl ester IUPAC Name: 4-(3-ethyl-1-methyl-2,6-dioxopurin-7-yl)butyl nitrate Traditional Name: nitric acid 4-(3-ethyl-2,6-diketo-1-methyl-purin-7-yl)butyl ester Formula: C12H17N5O5 MolecularWeight: 311.29388

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCO[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCO[N+](=O)[O-]

InChI

InChI=1S/C12H17N5O5/c1-3-16-10-9(11(18)14(2)12(16)19)15(8-13-10)6-4-5-7-22-17(20)21/h8H,3-7H2,1-2H3