UGD

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Summary

Name:N-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide
Formula:C15 H14 N4 O3
Formal charge:0
Molecular weight:298.297 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide
OpenEye OEToolkits2.0.7~{N}-[3-[(2~{R})-4-oxidanylideneazetidin-2-yl]oxyphenyl]-2-pyrimidin-5-yl-ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1cncc(c1)CC(Nc3cccc(OC2NC(C2)=O)c3)=O
InChIInChI1.03InChI=1S/C15H14N4O3/c20-13(4-10-7-16-9-17-8-10)18-11-2-1-3-12(5-11)22-15-6-14(21)19-15/h1-3,5,7-9,15H,4,6H2,(H,18,20)(H,19,21)/t15-/m1/s1
InChIKeyInChI1.03SGVQMOZIVBYLOT-OAHLLOKOSA-N
SMILES_CANONICALCACTVS3.385O=C1C[C@H](N1)Oc2cccc(NC(=O)Cc3cncnc3)c2
SMILESCACTVS3.385O=C1C[CH](N1)Oc2cccc(NC(=O)Cc3cncnc3)c2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(cc(c1)O[C@@H]2CC(=O)N2)NC(=O)Cc3cncnc3
SMILESOpenEye OEToolkits2.0.7c1cc(cc(c1)OC2CC(=O)N2)NC(=O)Cc3cncnc3
170172
PDB entries from 2020-10-21