6-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)hexanoic acid
Molecular Formula:
C
13
H
18
N
4
O
4
InChI:
InChI=1/C13H18N4O4/c1-16-11-10(12(20)17(2)13(16)21)14-8(15-11)6-4-3-5-7-9(18)19/h3-7H2,1-2H3,(H,14,15)(H,18,19)/f/h14,18H
InChIKey:
InChIKey=HAKAABXXLDREMT-VRWLZDFCCT
SMILES:
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCCCC(=O)O
Names:
NSC14384
5438-78-8
6-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)hexanoic acid
8-Theophyllinehexanoic acid
Registries:
PubChem CID 225226
PubChem ID 78578