218

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Summary

Name:1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-(2-HYDROXYETHYL)-2-METHYLPYRIDINIUM
Formula:C14 H19 N4 O
Formal charge:1
Molecular weight:259.327 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridinium
OpenEye OEToolkits1.5.02-[1-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-methyl-pyridin-1-ium-3-yl]ethanol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n1c(N)c(cnc1C)C[n+]2cccc(c2C)CCO
SMILES_CANONICALCACTVS3.341Cc1ncc(C[n+]2cccc(CCO)c2C)c(N)n1
SMILESCACTVS3.341Cc1ncc(C[n+]2cccc(CCO)c2C)c(N)n1
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1c(ccc[n+]1Cc2cnc(nc2N)C)CCO
SMILESOpenEye OEToolkits1.5.0Cc1c(ccc[n+]1Cc2cnc(nc2N)C)CCO
InChIInChI1.03InChI=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
InChIKeyInChI1.03PZWYDZMWPANLMB-UHFFFAOYSA-N
168889
PDB entries from 2020-09-16