ERJ

9-beta-D-ribofuranosyl-6-(thiophen-3-yl)-9H-purine

Created:	2018-01-30
Last modified:	2019-05-01

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1 entries where ERJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	4
Bond Count	40
Aromatic Bond Count	15

2D diagram of ERJ

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Chemical Component Summary
Name	9-beta-D-ribofuranosyl-6-(thiophen-3-yl)-9H-purine
Systematic Name (OpenEye OEToolkits)	(2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-5-(6-thiophen-3-ylpurin-9-yl)oxolane-3,4-diol
Formula	C₁₄ H₁₄ N₄ O₄ S
Molecular Weight	334.35
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c(c2c(nc1)n(cn2)C3C(O)C(C(O3)CO)O)c4cscc4
SMILES	CACTVS	3.385	OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c2ncnc3c4cscc4
SMILES	OpenEye OEToolkits	2.0.6	c1cscc1c2c3c(ncn2)n(cn3)C4C(C(C(O4)CO)O)O
Canonical SMILES	CACTVS	3.385	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c2ncnc3c4cscc4
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cscc1c2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI	InChI	1.03	InChI=1S/C14H14N4O4S/c19-3-8-11(20)12(21)14(22-8)18-6-17-10-9(7-1-2-23-4-7)15-5-16-13(10)18/h1-2,4-6,8,11-12,14,19-21H,3H2/t8-,11-,12-,14-/m1/s1
InChIKey	InChI	1.03	UXKNTUXJYSDVTH-LHNIVKCTSA-N

Related Resource References

Resource Name	Reference
PubChem	3010825

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