2KU

N-(3-METHOXYPROPYL)-9H-PURIN-6-AMINE

Created:	2011-03-25
Last modified:	2011-06-04

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1 entries where 2KU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	10

2D diagram of 2KU

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Chemical Component Summary
Name	N-(3-METHOXYPROPYL)-9H-PURIN-6-AMINE
Systematic Name (OpenEye OEToolkits)	N-(3-methoxypropyl)-9H-purin-6-amine
Formula	C₉ H₁₃ N₅ O
Molecular Weight	207.232
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2c1c(ncn1)c(nc2)NCCCOC
SMILES	CACTVS	3.370	COCCCNc1ncnc2[nH]cnc12
SMILES	OpenEye OEToolkits	1.7.0	COCCCNc1c2c([nH]cn2)ncn1
Canonical SMILES	CACTVS	3.370	COCCCNc1ncnc2[nH]cnc12
Canonical SMILES	OpenEye OEToolkits	1.7.0	COCCCNc1c2c([nH]cn2)ncn1
InChI	InChI	1.03	InChI=1S/C9H13N5O/c1-15-4-2-3-10-8-7-9(12-5-11-7)14-6-13-8/h5-6H,2-4H2,1H3,(H2,10,11,12,13,14)
InChIKey	InChI	1.03	BUGJFSHIPBSLKT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2155044
ChEMBL	CHEMBL1488445

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