72Y

4-chloranyl-7-[(4-chloranyl-3,5-dimethyl-pyridin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine

Created:	2016-08-18
Last modified:	2017-08-23

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1 entries where 72Y 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	16

2D diagram of 72Y

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Chemical Component Summary
Name	4-chloranyl-7-[(4-chloranyl-3,5-dimethyl-pyridin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
Systematic Name (OpenEye OEToolkits)	4-chloranyl-7-[(4-chloranyl-3,5-dimethyl-pyridin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
Formula	C₁₄ H₁₃ Cl₂ N₅
Molecular Weight	322.193
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1cnc(Cn2ccc3c(Cl)nc(N)nc23)c(C)c1Cl
SMILES	OpenEye OEToolkits	2.0.5	Cc1cnc(c(c1Cl)C)Cn2ccc3c2nc(nc3Cl)N
Canonical SMILES	CACTVS	3.385	Cc1cnc(Cn2ccc3c(Cl)nc(N)nc23)c(C)c1Cl
Canonical SMILES	OpenEye OEToolkits	2.0.5	Cc1cnc(c(c1Cl)C)Cn2ccc3c2nc(nc3Cl)N
InChI	InChI	1.03	InChI=1S/C14H13Cl2N5/c1-7-5-18-10(8(2)11(7)15)6-21-4-3-9-12(16)19-14(17)20-13(9)21/h3-5H,6H2,1-2H3,(H2,17,19,20)
InChIKey	InChI	1.03	UTYKALJIQPGPEY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3898024
PubChem	11324720
ChEMBL	CHEMBL3898024

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