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NX0

Summary
Name:1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one
Synonyms:1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)prop-2-en-1-one (precursor)
Formula:C10 H12 N2 O2
Formal charge:0
Formula weight:192.214 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits3.1.0.01-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C10H12N2O2/c1-2-9(13)12-6-7-14-10-8(12)4-3-5-11-10/h3-5H,2,6-7H2,1H3
InChIKeyInChI1.06CLJYSIDDPHCCHD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCC(=O)N1CCOc2ncccc12
SMILESCACTVS3.385CCC(=O)N1CCOc2ncccc12
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CCC(=O)N1CCOc2c1cccn2
SMILESOpenEye OEToolkits3.1.0.0CCC(=O)N1CCOc2c1cccn2

221051

PDB entries from 2024-06-12

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