Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

5ZW

Summary
Name:6-[4-(4-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
Formula:C15 H15 Cl N4 O3
Formal charge:0
Formula weight:334.758 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-[4-(4-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits2.0.76-[4-(4-chlorophenyl)piperazin-1-yl]carbonyl-1~{H}-pyrimidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(C1=CC(=O)NC(=O)N1)N1CCN(CC1)c1ccc(Cl)cc1
InChIInChI1.03InChI=1S/C15H15ClN4O3/c16-10-1-3-11(4-2-10)19-5-7-20(8-6-19)14(22)12-9-13(21)18-15(23)17-12/h1-4,9H,5-8H2,(H2,17,18,21,23)
InChIKeyInChI1.03UPTYXISDRSIHCH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Clc1ccc(cc1)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3
SMILESCACTVS3.385Clc1ccc(cc1)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl

226707

건을2024-10-30부터공개중

PDB statisticsPDBj update infoContact PDBjnumon