MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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Arprinocid

	Properties	Image
MNX_ID	MNXM42625
reference	chebi:182830
formula	C₁₂H₉ClFN₅
global charge	0
mol weight	277.69
InChIKey	NAPNOSFRRMHNBJ-UHFFFAOYSA-N
InChI	InChI=1S/C12H9ClFN5/c13-8-2-1-3-9(14)7(8)4-19-6-18-10-11(15)16-5-17-12(10)19/h1-3,5-6H,4H2,(H2,15,16,17)
SMILES	NC1=NC=NC2=C1N=CN2CC1=C(Cl)C=CC=C1F

MNX internals

InChI (mnx)	InChI=1/C12H9ClFN5/c13-8-2-1-3-9(14)7(8)4-19-6-18-10-11(15)16-5-17-12(10)19/h1-3,5-6H,4H2,(H2,15,16,17)
SMILES (mnx)	[CH:1]1=[CH:2][C:8]([Cl:13])=[C:7]([CH2:4][N:19]2[CH:6]=[N:18][C:10]3=[C:11]([NH2:15])[N:16]=[CH:5][N:17]=[C:12]32)[C:9]([F:14])=[CH:3]1

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
Identifier	Description
CHEBI:182830 chebi:182830 NAPNOSFRRMHNBJ-UHFFFAOYSA-N	Arprinocid 9-[(2-chloro-6-luorophenyl)methyl]purin-6-amine
kegg.drug:D02987 keggD:D02987 NAPNOSFRRMHNBJ-UHFFFAOYSA-N	Arprinocid (USAN/INN) Arpocox (TN)
keggD:M_D02987	secondary/obsolete/fantasy identifier