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Q4H

Summary
Name:4-azanylpyrimidine-5-carbonitrile
Formula:C5 H4 N4
Formal charge:0
Formula weight:120.112 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-azanylpyrimidine-5-carbonitrile

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C5H4N4/c6-1-4-2-8-3-9-5(4)7/h2-3H,(H2,7,8,9)
InChIKeyInChI1.03JAIYUIOGVNRXEW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1ncncc1C#N
SMILESCACTVS3.385Nc1ncncc1C#N
SMILES_CANONICALOpenEye OEToolkits2.0.7c1c(c(ncn1)N)C#N
SMILESOpenEye OEToolkits2.0.7c1c(c(ncn1)N)C#N

223166

数据于2024-07-31公开中

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