6CR

6-chloro-9-(beta-D-ribofuranosyl)-9H-purin-2-amine

Created:	2012-01-20
Last modified:	2012-09-21

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1 entries where 6CR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	4
Bond Count	34
Aromatic Bond Count	10

2D diagram of 6CR

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Chemical Component Summary
Name	6-chloro-9-(beta-D-ribofuranosyl)-9H-purin-2-amine
Systematic Name (OpenEye OEToolkits)	(2R,3R,4S,5R)-2-(2-azanyl-6-chloranyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Formula	C₁₀ H₁₂ Cl N₅ O₄
Molecular Weight	301.686
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc3nc(nc1c3ncn1C2OC(C(O)C2O)CO)N
SMILES	CACTVS	3.370	Nc1nc(Cl)c2ncn([CH]3O[CH](CO)[CH](O)[CH]3O)c2n1
SMILES	OpenEye OEToolkits	1.7.6	c1nc2c(n1C3C(C(C(O3)CO)O)O)nc(nc2Cl)N
Canonical SMILES	CACTVS	3.370	Nc1nc(Cl)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)nc(nc2Cl)N
InChI	InChI	1.03	InChI=1S/C10H12ClN5O4/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
InChIKey	InChI	1.03	TXWHPSZYRUHEGT-UUOKFMHZSA-N

Related Resource References

Resource Name	Reference
PubChem	102197
ChEMBL	CHEMBL244169

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