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SummaryGeometryRelated PDB entries

2RT

Summary
Name:4-({4-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile
Formula:C19 H18 N6
Formal charge:0
Formula weight:330.386 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-({4-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile
OpenEye OEToolkits1.7.64-[[4-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl]amino]benzenecarbonitrile

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N#Cc1ccc(cc1)Nc2ncnc(n2)Nc3c(cc(cc3C)C)C
InChIInChI1.03InChI=1S/C19H18N6/c1-12-8-13(2)17(14(3)9-12)24-19-22-11-21-18(25-19)23-16-6-4-15(10-20)5-7-16/h4-9,11H,1-3H3,(H2,21,22,23,24,25)
InChIKeyInChI1.03SOPKWXMQSHLEKD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cc(C)c(Nc2ncnc(Nc3ccc(cc3)C#N)n2)c(C)c1
SMILESCACTVS3.385Cc1cc(C)c(Nc2ncnc(Nc3ccc(cc3)C#N)n2)c(C)c1
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1cc(c(c(c1)C)Nc2ncnc(n2)Nc3ccc(cc3)C#N)C
SMILESOpenEye OEToolkits1.7.6Cc1cc(c(c(c1)C)Nc2ncnc(n2)Nc3ccc(cc3)C#N)C

246704

PDB entries from 2025-12-24

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