X0A

2-[4-amino-6-(phenylamino)-1,3,5-triazin-2-yl]-4-chlorophenol

Created:	2011-02-17
Last modified:	2011-06-04

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1 entries where X0A is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	19

2D diagram of X0A

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Chemical Component Summary
Name	2-[4-amino-6-(phenylamino)-1,3,5-triazin-2-yl]-4-chlorophenol
Systematic Name (OpenEye OEToolkits)	2-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)-4-chloro-phenol
Formula	C₁₅ H₁₂ Cl N₅ O
Molecular Weight	313.742
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc3cc(c1nc(nc(n1)Nc2ccccc2)N)c(O)cc3
SMILES	CACTVS	3.370	Nc1nc(Nc2ccccc2)nc(n1)c3cc(Cl)ccc3O
SMILES	OpenEye OEToolkits	1.7.0	c1ccc(cc1)Nc2nc(nc(n2)N)c3cc(ccc3O)Cl
Canonical SMILES	CACTVS	3.370	Nc1nc(Nc2ccccc2)nc(n1)c3cc(Cl)ccc3O
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc(cc1)Nc2nc(nc(n2)N)c3cc(ccc3O)Cl
InChI	InChI	1.03	InChI=1S/C15H12ClN5O/c16-9-6-7-12(22)11(8-9)13-19-14(17)21-15(20-13)18-10-4-2-1-3-5-10/h1-8,22H,(H3,17,18,19,20,21)
InChIKey	InChI	1.03	GLZDHSRHLCFCED-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	3445006

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.