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M1Z

Summary
Name:6-pyrrolidin-1-yl-5~{H}-pyrimidine-2,4-dione
Formula:C8 H11 N3 O2
Formal charge:0
Formula weight:181.192 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.76-pyrrolidin-1-yl-5~{H}-pyrimidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C8H11N3O2/c12-7-5-6(9-8(13)10-7)11-3-1-2-4-11/h1-5H2,(H,10,12,13)
InChIKeyInChI1.03VVOJYMDKNPHWLV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C1CC(=NC(=O)N1)N2CCCC2
SMILESCACTVS3.385O=C1CC(=NC(=O)N1)N2CCCC2
SMILES_CANONICALOpenEye OEToolkits2.0.7C1CCN(C1)C2=NC(=O)NC(=O)C2
SMILESOpenEye OEToolkits2.0.7C1CCN(C1)C2=NC(=O)NC(=O)C2

223166

数据于2024-07-31公开中

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