XWS

(2R,4R)-1-phenylhexahydropyrimidine-2,4-diol

Created:	2021-01-18
Last modified:	2021-02-03

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1 entries where XWS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	2
Bond Count	29
Aromatic Bond Count	6

2D diagram of XWS

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Chemical Component Summary
Name	(2R,4R)-1-phenylhexahydropyrimidine-2,4-diol
Systematic Name (OpenEye OEToolkits)	(2~{R},4~{R})-1-phenyl-1,3-diazinane-2,4-diol
Formula	C₁₀ H₁₄ N₂ O₂
Molecular Weight	194.23
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N1(CCC(NC1O)O)c2ccccc2
SMILES	CACTVS	3.385	O[CH]1CCN([CH](O)N1)c2ccccc2
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)N2CCC(NC2O)O
Canonical SMILES	CACTVS	3.385	O[C@@H]1CCN([C@H](O)N1)c2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)N2CC[C@H](N[C@H]2O)O
InChI	InChI	1.03	InChI=1S/C10H14N2O2/c13-9-6-7-12(10(14)11-9)8-4-2-1-3-5-8/h1-5,9-11,13-14H,6-7H2/t9-,10-/m1/s1
InChIKey	InChI	1.03	OYDNXLZZNODBTK-NXEZZACHSA-N

Related Resource References

Resource Name	Reference
PubChem	155804600

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