3-[3,7-dimethyl-8-nitro-2,6-bis(oxidanylidene)purin-1-yl]propyl ethanoate

Systemtic Name: 3-[3,7-dimethyl-8-nitro-2,6-bis(oxidanylidene)purin-1-yl]propyl ethanoate Openeye Name: 3-(3,7-dimethyl-8-nitro-2,6-dioxo-purin-1-yl)propyl acetate CAS Name: acetic acid 3-(3,7-dimethyl-8-nitro-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-8-nitro-2,6-dioxopurin-1-yl)propyl acetate Traditional Name: acetic acid 3-(2,6-diketo-3,7-dimethyl-8-nitro-purin-1-yl)propyl ester Formula: C12H15N5O6 MolecularWeight: 325.2774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCN1C(=O)C2=C(N=C(N2C)[N+](=O)[O-])N(C1=O)C

Isomeric SMILES

CC(=O)OCCCN1C(=O)C2=C(N=C(N2C)[N+](=O)[O-])N(C1=O)C

InChI

InChI=1S/C12H15N5O6/c1-7(18)23-6-4-5-16-10(19)8-9(15(3)12(16)20)13-11(14(8)2)17(21)22/h4-6H2,1-3H3