2RT

4-({4-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile

Created:	2014-01-14
Last modified:	2020-05-27

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1 entries where 2RT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	18

2D diagram of 2RT

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Chemical Component Summary
Name	4-({4-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile
Systematic Name (OpenEye OEToolkits)	4-[[4-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl]amino]benzenecarbonitrile
Formula	C₁₉ H₁₈ N₆
Molecular Weight	330.386
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N#Cc1ccc(cc1)Nc2ncnc(n2)Nc3c(cc(cc3C)C)C
SMILES	CACTVS	3.385	Cc1cc(C)c(Nc2ncnc(Nc3ccc(cc3)C#N)n2)c(C)c1
SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(c(c(c1)C)Nc2ncnc(n2)Nc3ccc(cc3)C#N)C
Canonical SMILES	CACTVS	3.385	Cc1cc(C)c(Nc2ncnc(Nc3ccc(cc3)C#N)n2)c(C)c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(c(c(c1)C)Nc2ncnc(n2)Nc3ccc(cc3)C#N)C
InChI	InChI	1.03	InChI=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)
InChIKey	InChI	1.03	SOPKWXMQSHLEKD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	486449
ChEMBL	CHEMBL71728

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.