6AY

N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Created:	2016-02-26
Last modified:	2017-02-22

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1 entries where 6AY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	16

2D diagram of 6AY

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Chemical Component Summary
Name	N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Systematic Name (OpenEye OEToolkits)	~{N}-[(4-chlorophenyl)methyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine
Formula	C₁₃ H₁₂ Cl N₅
Molecular Weight	273.721
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc(Cl)ccc1CNc2c3c(ncn2)n(C)nc3
SMILES	CACTVS	3.385	Cn1ncc2c(NCc3ccc(Cl)cc3)ncnc12
SMILES	OpenEye OEToolkits	2.0.4	Cn1c2c(cn1)c(ncn2)NCc3ccc(cc3)Cl
Canonical SMILES	CACTVS	3.385	Cn1ncc2c(NCc3ccc(Cl)cc3)ncnc12
Canonical SMILES	OpenEye OEToolkits	2.0.4	Cn1c2c(cn1)c(ncn2)NCc3ccc(cc3)Cl
InChI	InChI	1.03	InChI=1S/C13H12ClN5/c1-19-13-11(7-18-19)12(16-8-17-13)15-6-9-2-4-10(14)5-3-9/h2-5,7-8H,6H2,1H3,(H,15,16,17)
InChIKey	InChI	1.03	JMHQWHUUDRUTPU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	228292
ChEMBL	CHEMBL1592555

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