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4-(1-nitro-6-oxidanylidene-purin-9-yl)butyl ethanoate

4-(1-nitro-6-oxidanylidene-purin-9-yl)butyl ethanoate

Systemtic Name:4-(1-nitro-6-oxidanylidene-purin-9-yl)butyl ethanoate
Openeye Name:4-(1-nitro-6-oxo-purin-9-yl)butyl acetate
CAS Name:acetic acid 4-(1-nitro-6-oxo-9-purinyl)butyl ester
IUPAC Name:4-(1-nitro-6-oxopurin-9-yl)butyl acetate
Traditional Name:acetic acid 4-(6-keto-1-nitro-purin-9-yl)butyl ester
Formula: C11H13N5O5
MolecularWeight: 295.25142
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCN1C=NC2=C1N=CN(C2=O)[N+](=O)[O-]


Isomeric SMILES

CC(=O)OCCCCN1C=NC2=C1N=CN(C2=O)[N+](=O)[O-]


InChI

InChI=1S/C11H13N5O5/c1-8(17)21-5-3-2-4-14-6-12-9-10(14)13-7-15(11(9)18)16(19)20/h6-7H,2-5H2,1H3


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