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A1DFA

Summary
Name:6-[4-(4,5-dichloro-2-nitrophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
Formula:C15 H13 Cl2 N5 O5
Formal charge:0
Formula weight:414.2 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.526-[4-(4,5-dichloro-2-nitrophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits3.1.0.06-[4-[4,5-bis(chloranyl)-2-nitro-phenyl]piperazin-1-yl]carbonyl-1~{H}-pyrimidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(C1=CC(=O)NC(=O)N1)N1CCN(CC1)c1cc(Cl)c(Cl)cc1N(=O)=O
InChIInChI1.06InChI=1S/C15H13Cl2N5O5/c16-8-5-11(12(22(26)27)6-9(8)17)20-1-3-21(4-2-20)14(24)10-7-13(23)19-15(25)18-10/h5-7H,1-4H2,(H2,18,19,23,25)
InChIKeyInChI1.06IKRQNTCNHMFQRP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Clc1cc(N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)c(cc1Cl)[N](=O)=O
SMILESCACTVS3.385Clc1cc(N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)c(cc1Cl)[N](=O)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1c(c(cc(c1Cl)Cl)N(=O)=O)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3
SMILESOpenEye OEToolkits3.1.0.0c1c(c(cc(c1Cl)Cl)N(=O)=O)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3

259351

PDB entries from 2026-09-09

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