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Summary

Name:3-[8-({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)imidazo[1,2-a]pyrazin-5-yl]phenol
Formula:C22 H23 N5 O2
Formal charge:0
Molecular weight:389.45 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-[8-({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)imidazo[1,2-a]pyrazin-5-yl]phenol
OpenEye OEToolkits1.7.63-[8-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]amino]imidazo[1,2-a]pyrazin-5-yl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1c(c3nccn3c(c1)c2cccc(O)c2)Nc4ccc(N(CC)CCO)cc4
InChIInChI1.03InChI=1S/C22H23N5O2/c1-2-26(12-13-28)18-8-6-17(7-9-18)25-21-22-23-10-11-27(22)20(15-24-21)16-4-3-5-19(29)14-16/h3-11,14-15,28-29H,2,12-13H2,1H3,(H,24,25)
InChIKeyInChI1.03HNXXZSFGRGLZTI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CCN(CCO)c1ccc(Nc2ncc(n3ccnc23)c4cccc(O)c4)cc1
SMILESCACTVS3.370CCN(CCO)c1ccc(Nc2ncc(n3ccnc23)c4cccc(O)c4)cc1
SMILES_CANONICALOpenEye OEToolkits1.7.6CCN(CCO)c1ccc(cc1)Nc2c3nccn3c(cn2)c4cccc(c4)O
SMILESOpenEye OEToolkits1.7.6CCN(CCO)c1ccc(cc1)Nc2c3nccn3c(cn2)c4cccc(c4)O
171916
PDB entries from 2020-12-02