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6E3

Summary
Name:2,3,5,6-tetramethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione
Formula:C10 H12 N2 O2
Formal charge:0
Formula weight:192.214 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012,3,5,6-tetramethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione
OpenEye OEToolkits2.0.41,2,6,7-tetramethylpyrazolo[1,2-a]pyrazole-3,5-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1C(=C(C)N2N1C(C(C)=C2C)=O)C
InChIInChI1.03InChI=1S/C10H12N2O2/c1-5-7(3)11-8(4)6(2)10(14)12(11)9(5)13/h1-4H3
InChIKeyInChI1.03VWKNUUOGGLNRNZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC1=C(C)C(=O)N2N1C(=C(C)C2=O)C
SMILESCACTVS3.385CC1=C(C)C(=O)N2N1C(=C(C)C2=O)C
SMILES_CANONICALOpenEye OEToolkits2.0.4CC1=C(N2C(=C(C(=O)N2C1=O)C)C)C
SMILESOpenEye OEToolkits2.0.4CC1=C(N2C(=C(C(=O)N2C1=O)C)C)C

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PDB entries from 2024-07-17

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