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5YJ

Summary
Name:6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
Formula:C16 H16 Cl2 N4 O3
Formal charge:0
Formula weight:383.229 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits2.0.76-[4-[3,5-bis(chloranyl)-4-methyl-phenyl]piperazin-1-yl]carbonyl-1~{H}-pyrimidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(C1=CC(=O)NC(=O)N1)N1CCN(CC1)c1cc(Cl)c(C)c(Cl)c1
InChIInChI1.03InChI=1S/C16H16Cl2N4O3/c1-9-11(17)6-10(7-12(9)18)21-2-4-22(5-3-21)15(24)13-8-14(23)20-16(25)19-13/h6-8H,2-5H2,1H3,(H2,19,20,23,25)
InChIKeyInChI1.03HKYIVHLRSLTYKM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1c(Cl)cc(cc1Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3
SMILESCACTVS3.385Cc1c(Cl)cc(cc1Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(cc(cc1Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl
SMILESOpenEye OEToolkits2.0.7Cc1c(cc(cc1Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)Cl

218853

PDB entries from 2024-04-24

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