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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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