6L4

~{N}-[2-[5-chloranyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide

Created:	2016-04-26
Last modified:	2024-09-27

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1 entries where 6L4 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	17

2D diagram of 6L4

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Chemical Component Summary
Name	~{N}-[2-[5-chloranyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
Synonyms	N-(2-((5-chloro-2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)oxy)phenyl)acrylamide
Systematic Name (OpenEye OEToolkits)	~{N}-[2-[5-chloranyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
Formula	C₁₇ H₁₅ Cl N₆ O₂
Molecular Weight	370.793
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cn1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1
SMILES	OpenEye OEToolkits	2.0.5	Cn1cc(cn1)Nc2ncc(c(n2)Oc3ccccc3NC(=O)C=C)Cl
Canonical SMILES	CACTVS	3.385	Cn1cc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cn1
Canonical SMILES	OpenEye OEToolkits	2.0.5	Cn1cc(cn1)Nc2ncc(c(n2)Oc3ccccc3NC(=O)C=C)Cl
InChI	InChI	1.03	InChI=1S/C17H15ClN6O2/c1-3-15(25)22-13-6-4-5-7-14(13)26-16-12(18)9-19-17(23-16)21-11-8-20-24(2)10-11/h3-10H,1H2,2H3,(H,22,25)(H,19,21,23)
InChIKey	InChI	1.03	QXQGHCJUTRTRLJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3884143
PubChem	132819865
ChEMBL	CHEMBL3884143

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