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A1DCQ

Summary
Name:5-fluoro-6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
Formula:C15 H12 Cl3 F N4 O3
Formal charge:0
Formula weight:421.638 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.525-fluoro-6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits3.1.0.05-fluoranyl-6-[4-[3,4,5-tris(chloranyl)phenyl]piperazin-1-yl]carbonyl-1~{H}-pyrimidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(C=1NC(=O)NC(=O)C=1F)N1CCN(CC1)c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI1.06InChI=1S/C15H12Cl3FN4O3/c16-8-5-7(6-9(17)10(8)18)22-1-3-23(4-2-22)14(25)12-11(19)13(24)21-15(26)20-12/h5-6H,1-4H2,(H2,20,21,24,26)
InChIKeyInChI1.06JEAJYPLXDUDMDF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385FC1=C(NC(=O)NC1=O)C(=O)N2CCN(CC2)c3cc(Cl)c(Cl)c(Cl)c3
SMILESCACTVS3.385FC1=C(NC(=O)NC1=O)C(=O)N2CCN(CC2)c3cc(Cl)c(Cl)c(Cl)c3
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1c(cc(c(c1Cl)Cl)Cl)N2CCN(CC2)C(=O)C3=C(C(=O)NC(=O)N3)F
SMILESOpenEye OEToolkits3.1.0.0c1c(cc(c(c1Cl)Cl)Cl)N2CCN(CC2)C(=O)C3=C(C(=O)NC(=O)N3)F

259351

PDB entries from 2026-09-09

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