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H69

Summary
Name:6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
Formula:C16 H15 Cl2 N3 O3
Formal charge:0
Formula weight:368.215 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(C1=CC(=O)NC(=O)N1)N1CCC(CC1)c1ccc(Cl)c(Cl)c1
InChIInChI1.03InChI=1S/C16H15Cl2N3O3/c17-11-2-1-10(7-12(11)18)9-3-5-21(6-4-9)15(23)13-8-14(22)20-16(24)19-13/h1-2,7-9H,3-6H2,(H2,19,20,22,24)
InChIKeyInChI1.03BOEMYMIXDCTGER-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Clc1ccc(cc1Cl)C2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3
SMILESCACTVS3.385Clc1ccc(cc1Cl)C2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(cc1C2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)Cl
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1C2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl)Cl

218853

PDB entries from 2024-04-24

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