RSI

2-morpholin-4-yl-9-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine

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

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1 entries where RSI is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	59
Chiral Atom Count	0
Bond Count	63
Aromatic Bond Count	22

2D diagram of RSI

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Chemical Component Summary
Name	2-morpholin-4-yl-9-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine
Systematic Name (OpenEye OEToolkits)	2-morpholin-4-yl-9-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine
Formula	C₂₄ H₂₇ N₇ O
Molecular Weight	429.517
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(C)n1cnc2c(NCc3ccc(cc3)c4ccccn4)nc(nc12)N5CCOCC5
SMILES	OpenEye OEToolkits	3.1.0.0	CC(C)n1cnc2c1nc(nc2NCc3ccc(cc3)c4ccccn4)N5CCOCC5
Canonical SMILES	CACTVS	3.385	CC(C)n1cnc2c(NCc3ccc(cc3)c4ccccn4)nc(nc12)N5CCOCC5
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	CC(C)n1cnc2c1nc(nc2NCc3ccc(cc3)c4ccccn4)N5CCOCC5
InChI	InChI	1.06	InChI=1S/C24H27N7O/c1-17(2)31-16-27-21-22(28-24(29-23(21)31)30-11-13-32-14-12-30)26-15-18-6-8-19(9-7-18)20-5-3-4-10-25-20/h3-10,16-17H,11-15H2,1-2H3,(H,26,28,29)
InChIKey	InChI	1.06	LQFDMFLOSFCOEO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	168477818

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.