9-[4-(2-hydroxyethyl)-3,5-dinitro-phenyl]-3H-purin-6-one
Molecular Formula:
C
13
H
10
N
6
O
6
InChI:
InChI=1/C13H10N6O6/c20-2-1-8-9(18(22)23)3-7(4-10(8)19(24)25)17-6-16-11-12(17)14-5-15-13(11)21/h3-6,20H,1-2H2,(H,14,15,21)/f/h14H
InChIKey:
InChIKey=NQJVSYPFXNCUPR-YHMJCDSICJ
SMILES:
C1=C(C=C(C(=C1[N+](=O)[O-])CCO)[N+](=O)[O-])N2C=NC3=C2NC=NC3=O
Names:
NSC87693
9-[4-(2-hydroxyethyl)-3,5-dinitro-phenyl]-3H-purin-6-one
Registries:
PubChem CID 258599
PubChem ID 124331