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1-(4-amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium

PropertiesImage
MNX_IDMNXM130117 Image of MNXM130117
referencechebi:72290
formulaC14H19N4O
global charge1
mol weight259.333
InChIKeyPZWYDZMWPANLMB-UHFFFAOYSA-N
InChIInChI=1S/C14H19N4O/c1-10-12(5-7-19)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15/h3-4,6,8,19H,5,7,9H2,1-2H3,(H2,15,16,17)/q+1
SMILESCC1=NC=C(C[N+]2=CC=CC(CCO)=C2C)C(N)=N1
MNX internals
InChI (mnx)InChI=1/C14H19N4O/c1-10-12(5-7-19)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15/h3-4,6,8,19H,5,7,9H2,1-2H3,(H2,15,16,17)/q+1 Image of MNXM130117
SMILES (mnx)[CH3:1][C:10]1=[C:12]([CH2:5][CH2:7][OH:19])[CH:4]=[CH:3][CH:6]=[N+:18]1[CH2:9][C:13]1=[CH:8][N:16]=[C:11]([CH3:2])[NH:17][C:14]1=[NH:15]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:72290
chebi:72290
PZWYDZMWPANLMB-UHFFFAOYSA-N
1-(4-amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium
1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridinium
pyrithiamine
pyrithiamine cation

metacyc.compound:CPD-13586
metacycM:CPD-13586
seed.compound:cpd23943
seedM:cpd23943
PZWYDZMWPANLMB-UHFFFAOYSA-N
1-(4-amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium

kegg.compound:C21111
keggC:C21111
PZWYDZMWPANLMB-UHFFFAOYSA-N
Pyrithiamine
1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium

chebi:39662
keggC:M_C21111
seedM:M_cpd23943
secondary/obsolete/fantasy identifier