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8-chlorotheophylline(1-)

PropertiesImage
MNX_IDMNXM1108178 Image of MNXM1108178
referencechebi:59778
formulaC7H6ClN4O2
global charge-1
mol weight213.604
InChIKeyNBLOJVMYLSLJSB-UHFFFAOYSA-M
InChIInChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10,13)/p-1
SMILESCN1C(=O)C2=C(N=C(Cl)[N-]2)N(C)C1=O
MNX internals
InChI (mnx)InChI=1/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10,13) Image of MNXM1108178
SMILES (mnx)[CH3:1][N:11]1[C:4]2=[C:3]([C:5](=[O:13])[N:12]([CH3:2])[C:7]1=[O:14])[NH+:9]=[C:6]([Cl:8])[N-:10]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:59778
chebi:59778
NBLOJVMYLSLJSB-UHFFFAOYSA-M 		8-chlorotheophylline(1-)
1,3-dimethyl-8-chloroxanthine anion
1,3-dimethyl-8-chloroxanthine(1-)
8-chloro-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-ide
8-chlorotheophylline anion