A1ARL

N-(2-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Created:	2024-05-13
Last modified:	2024-07-31

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1 entries where A1ARL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	16

2D diagram of A1ARL

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Chemical Component Summary
Name	N-(2-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Systematic Name (OpenEye OEToolkits)	~{N}-(2-chlorophenyl)-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine
Formula	C₁₂ H₁₀ Cl N₅
Molecular Weight	259.694
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccccc1Nc1ncnc2c1cnn2C
SMILES	CACTVS	3.385	Cn1ncc2c(Nc3ccccc3Cl)ncnc12
SMILES	OpenEye OEToolkits	2.0.7	Cn1c2c(cn1)c(ncn2)Nc3ccccc3Cl
Canonical SMILES	CACTVS	3.385	Cn1ncc2c(Nc3ccccc3Cl)ncnc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cn1c2c(cn1)c(ncn2)Nc3ccccc3Cl
InChI	InChI	1.06	InChI=1S/C12H10ClN5/c1-18-12-8(6-16-18)11(14-7-15-12)17-10-5-3-2-4-9(10)13/h2-7H,1H3,(H,14,15,17)
InChIKey	InChI	1.06	NCHJVZNFNABCPE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	219781

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