Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

TOP

Summary
Name:TRIMETHOPRIM
Formula:C14 H18 N4 O3
Formal charge:0
Formula weight:290.318 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine
OpenEye OEToolkits1.5.05-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n1c(N)c(cnc1N)Cc2cc(OC)c(OC)c(OC)c2
SMILES_CANONICALCACTVS3.341COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
SMILESCACTVS3.341COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N
SMILESOpenEye OEToolkits1.5.0COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N
InChIInChI1.03InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
InChIKeyInChI1.03IEDVJHCEMCRBQM-UHFFFAOYSA-N

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon