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fenetylline

PropertiesImage
MNX_IDMNXM156018 Image of MNXM156018
referencechebi:135451
formulaC18H23N5O2
global charge0
mol weight341.415
InChIKeyNMCHYWGKBADVMK-UHFFFAOYSA-N
InChIInChI=1S/C18H23N5O2/c1-13(11-14-7-5-4-6-8-14)19-9-10-23-12-20-16-15(23)17(24)22(3)18(25)21(16)2/h4-8,12-13,19H,9-11H2,1-3H3
SMILESCC(CC1=CC=CC=C1)NCCN1C=NC2=C1C(=O)N(C)C(=O)N2C
MNX internals
InChI (mnx)InChI=1/C18H23N5O2/c1-13(11-14-7-5-4-6-8-14)19-9-10-23-12-20-16-15(23)17(24)22(3)18(25)21(16)2/h4-8,12-13,19H,9-11H2,1-3H3/t13? Image of MNXM156018
SMILES (mnx)[CH3:1][CH:13]([CH2:11][C:14]1=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]1)[NH:19][CH2:9][CH2:10][N:23]1[CH:12]=[N:20][C:16]2=[C:15]1[C:17](=[O:24])[N:22]([CH3:3])[C:18](=[O:25])[N:21]2[CH3:2]
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:135451
chebi:135451
NMCHYWGKBADVMK-UHFFFAOYSA-N
fenetylline
fenethylene
fenethylline
fenethylline HCl
fenethylline hydrochloride
fenetyllin
phenethylline
theophyllineethylamphetamine
hmdb:HMDB0252198
NMCHYWGKBADVMK-UHFFFAOYSA-N
Fenethylline
1,3-dimethyl-7-{2-[(1-phenylpropan-2-yl)amino]ethyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7-Ethyltheophyllineamphetamine
Biocapton
Captagon
Fenethylline monohydrochloride
Fenetylline
Fitton
fenethylline

kegg.drug:D07944
keggD:D07944
NMCHYWGKBADVMK-UHFFFAOYSA-N
Fenetylline (INN)
Fenethylline
Fitton (TN)

keggD:M_D07944
secondary/obsolete/fantasy identifier