RV6

(2~{R})-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)amino]purin-2-yl]amino]butan-1-ol

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

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1 entries where RV6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	58
Chiral Atom Count	1
Bond Count	61
Aromatic Bond Count	22

2D diagram of RV6

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Chemical Component Summary
Name	(2~{R})-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)amino]purin-2-yl]amino]butan-1-ol
Systematic Name (OpenEye OEToolkits)	(2~{R})-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)amino]purin-2-yl]amino]butan-1-ol
Formula	C₂₃ H₂₇ N₇ O
Molecular Weight	417.507
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC[CH](CO)Nc1nc(Nc2ccc(cc2)c3ccccn3)c4ncn(C(C)C)c4n1
SMILES	OpenEye OEToolkits	3.1.0.0	CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3ccc(cc3)c4ccccn4
Canonical SMILES	CACTVS	3.385	CC[C@H](CO)Nc1nc(Nc2ccc(cc2)c3ccccn3)c4ncn(C(C)C)c4n1
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3ccc(cc3)c4ccccn4
InChI	InChI	1.06	InChI=1S/C23H27N7O/c1-4-17(13-31)27-23-28-21(20-22(29-23)30(14-25-20)15(2)3)26-18-10-8-16(9-11-18)19-7-5-6-12-24-19/h5-12,14-15,17,31H,4,13H2,1-3H3,(H2,26,27,28,29)/t17-/m1/s1
InChIKey	InChI	1.06	CWYPIRLIVVXCBY-QGZVFWFLSA-N

Related Resource References

Resource Name	Reference
PubChem	25053130
ChEMBL	CHEMBL518813

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