RUW

(2~{R})-2-[[6-(octylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol

Created:	2022-12-06
Last modified:	2023-09-13

Find Related PDB Entry
1 entries where RUW is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	63
Chiral Atom Count	1
Bond Count	64
Aromatic Bond Count	10

2D diagram of RUW

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(2~{R})-2-[[6-(octylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
Systematic Name (OpenEye OEToolkits)	(2~{R})-2-[[6-(octylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
Formula	C₂₀ H₃₆ N₆ O
Molecular Weight	376.539
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCCCCCCNc1nc(N[CH](CC)CO)nc2n(cnc12)C(C)C
SMILES	OpenEye OEToolkits	3.1.0.0	CCCCCCCCNc1c2c(nc(n1)NC(CC)CO)n(cn2)C(C)C
Canonical SMILES	CACTVS	3.385	CCCCCCCCNc1nc(N[C@H](CC)CO)nc2n(cnc12)C(C)C
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	CCCCCCCCNc1c2c(nc(n1)N[C@H](CC)CO)n(cn2)C(C)C
InChI	InChI	1.06	InChI=1S/C20H36N6O/c1-5-7-8-9-10-11-12-21-18-17-19(26(14-22-17)15(3)4)25-20(24-18)23-16(6-2)13-27/h14-16,27H,5-13H2,1-4H3,(H2,21,23,24,25)/t16-/m1/s1
InChIKey	InChI	1.06	PBCJJKFPGZLSLZ-MRXNPFEDSA-N

Related Resource References

Resource Name	Reference
PubChem	168477820

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.