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4-[1-(2,4-dinitrophenyl)-6-oxidanylidene-purin-9-yl]butyl ethanoate

4-[1-(2,4-dinitrophenyl)-6-oxidanylidene-purin-9-yl]butyl ethanoate

Systemtic Name:4-[1-(2,4-dinitrophenyl)-6-oxidanylidene-purin-9-yl]butyl ethanoate
Openeye Name:4-[1-(2,4-dinitrophenyl)-6-oxo-purin-9-yl]butyl acetate
CAS Name:acetic acid 4-[1-(2,4-dinitrophenyl)-6-oxo-9-purinyl]butyl ester
IUPAC Name:4-[1-(2,4-dinitrophenyl)-6-oxopurin-9-yl]butyl acetate
Traditional Name:acetic acid 4-[1-(2,4-dinitrophenyl)-6-keto-purin-9-yl]butyl ester
Formula: C17H16N6O7
MolecularWeight: 416.34494
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCN1C=NC2=C1N=CN(C2=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

CC(=O)OCCCCN1C=NC2=C1N=CN(C2=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C17H16N6O7/c1-11(24)30-7-3-2-6-20-9-18-15-16(20)19-10-21(17(15)25)13-5-4-12(22(26)27)8-14(13)23(28)29/h4-5,8-10H,2-3,6-7H2,1H3


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