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QL2

Summary
Name:6-[(3,5-difluorophenyl)amino]-9-ethyl-9H-purine-2-carbonitrile
Formula:C14 H10 F2 N6
Formal charge:0
Formula weight:300.266 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.026-[(3,5-difluorophenyl)amino]-9-ethyl-9H-purine-2-carbonitrile
OpenEye OEToolkits1.6.16-[(3,5-difluorophenyl)amino]-9-ethyl-purine-2-carbonitrile

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02Fc1cc(cc(F)c1)Nc3nc(nc2c3ncn2CC)C#N
SMILES_CANONICALCACTVS3.352CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N
SMILESCACTVS3.352CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N
SMILES_CANONICALOpenEye OEToolkits1.7.0CCn1cnc2c1nc(nc2Nc3cc(cc(c3)F)F)C#N
SMILESOpenEye OEToolkits1.7.0CCn1cnc2c1nc(nc2Nc3cc(cc(c3)F)F)C#N
InChIInChI1.03InChI=1S/C14H10F2N6/c1-2-22-7-18-12-13(20-11(6-17)21-14(12)22)19-10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,19,20,21)
InChIKeyInChI1.03SZYYBVWPURUFRR-UHFFFAOYSA-N

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PDB entries from 2024-11-06

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