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A1DH2

Summary
Name:6-[4-(2-amino-4,5-dichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
Formula:C15 H15 Cl2 N5 O3
Formal charge:0
Formula weight:384.217 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.526-[4-(2-amino-4,5-dichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits3.1.0.06-[4-[2-azanyl-4,5-bis(chloranyl)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
InChIInChI1.06InChI=1S/C15H15Cl2N5O3/c16-8-5-10(18)12(6-9(8)17)21-1-3-22(4-2-21)14(24)11-7-13(23)20-15(25)19-11/h5-7H,1-4,18H2,(H2,19,20,23,25)
InChIKeyInChI1.06UPCMDUFLUSQQJH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1cc(Cl)c(Cl)cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3
SMILESCACTVS3.385Nc1cc(Cl)c(Cl)cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1c(c(cc(c1Cl)Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)N
SMILESOpenEye OEToolkits3.1.0.0c1c(c(cc(c1Cl)Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)N

259351

PDB entries from 2026-09-09

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