Xanthobine
Molecular Formula:
C
8
H
9
BrN
4
O
2
InChI:
InChI=1/C8H9BrN4O2/c1-11-4-5(10-7(11)9)12(2)8(15)13(3)6(4)14/h1-3H3
InChIKey:
InChIKey=YRLRORFORQUTKS-UHFFFAOYAA
SMILES:
CN1C2=C(N=C1Br)N(C(=O)N(C2=O)C)C
Names:
Caffeine, 8-bromo-
NSC 11255
Xanthobin
Xanthobine
1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-1,3,7-trimethyl-
10381-82-5
8-Bromocaffeine
8-bromo-1,3,7-trimethyl-purine-2,6-dione
8-Caffeine bromide
Registries:
PubChem CID 64127
PubChem ID 206170