octyl 3,5-dinitro-4-(7H-purin-6-ylsulfanyl)benzoate

Molecular Formula: C20H22N6O6S


InChI: InChI=1/C20H22N6O6S/c1-2-3-4-5-6-7-8-32-20(27)13-9-14(25(28)29)17(15(10-13)26(30)31)33-19-16-18(22-11-21-16)23-12-24-19/h9-12H,2-8H2,1H3,(H,21,22,23,24)/f/h21H

InChIKey: InChIKey=JWTQVITYOODVFM-PKSOQXRJCC
SMILES: CCCCCCCCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]

Names:
    octyl 3,5-dinitro-4-(7H-purin-6-ylsulfanyl)benzoate

Registries:
    PubChem CID 3560228
    PubChem ID 4817329