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I3V

Summary
Name:5-azanyl-6-methyl-1~{H}-pyrimidine-2,4-dione
Formula:C5 H7 N3 O2
Formal charge:0
Formula weight:141.128 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.75-azanyl-6-methyl-1~{H}-pyrimidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C5H7N3O2/c1-2-3(6)4(9)8-5(10)7-2/h6H2,1H3,(H2,7,8,9,10)
InChIKeyInChI1.06FNSSATCDUXTALE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC1=C(N)C(=O)NC(=O)N1
SMILESCACTVS3.385CC1=C(N)C(=O)NC(=O)N1
SMILES_CANONICALOpenEye OEToolkits2.0.7CC1=C(C(=O)NC(=O)N1)N
SMILESOpenEye OEToolkits2.0.7CC1=C(C(=O)NC(=O)N1)N

221051

PDB entries from 2024-06-12

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