octyl 3,5-dinitro-4-(7H-purin-6-ylsulfanyl)benzoate
Molecular Formula:
C
20
H
22
N
6
O
6
S
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