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

PFQ

Summary
Name:2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL
Formula:C20 H17 N3 O2
Formal charge:0
Formula weight:331.368 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethanol
OpenEye OEToolkits1.5.02-[(5,6-diphenylfuro[3,2-e]pyrimidin-4-yl)amino]ethanol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n1c(c2c(nc1)oc(c2c3ccccc3)c4ccccc4)NCCO
SMILES_CANONICALCACTVS3.341OCCNc1ncnc2oc(c3ccccc3)c(c4ccccc4)c12
SMILESCACTVS3.341OCCNc1ncnc2oc(c3ccccc3)c(c4ccccc4)c12
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCO
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCO
InChIInChI1.03InChI=1S/C20H17N3O2/c24-12-11-21-19-17-16(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)25-20(17)23-13-22-19/h1-10,13,24H,11-12H2,(H,21,22,23)
InChIKeyInChI1.03UQHINZSKNAAVOZ-UHFFFAOYSA-N

219869

PDB entries from 2024-05-15

PDB statisticsPDBj update infoContact PDBjnumon