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L3N

Summary
Name:1~{H}-quinazoline-2,4-dione
Formula:C8 H6 N2 O2
Formal charge:0
Formula weight:162.145 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71~{H}-quinazoline-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)
InChIKeyInChI1.06SDQJTWBNWQABLE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C1NC(=O)c2ccccc2N1
SMILESCACTVS3.385O=C1NC(=O)c2ccccc2N1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)C(=O)NC(=O)N2
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)C(=O)NC(=O)N2

225946

PDB entries from 2024-10-09

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