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5Z3

Summary
Name:6-{4-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione
Formula:C16 H14 Cl F3 N4 O3
Formal charge:0
Formula weight:402.756 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-{4-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits2.0.76-[4-[4-chloranyl-3-(trifluoromethyl)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(c(Cl)cc1)C(F)(F)F
InChIInChI1.03InChI=1S/C16H14ClF3N4O3/c17-11-2-1-9(7-10(11)16(18,19)20)23-3-5-24(6-4-23)14(26)12-8-13(25)22-15(27)21-12/h1-2,7-8H,3-6H2,(H2,21,22,25,27)
InChIKeyInChI1.03CVDMNVBBLCPUMH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385FC(F)(F)c1cc(ccc1Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3
SMILESCACTVS3.385FC(F)(F)c1cc(ccc1Cl)N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)C(F)(F)F)Cl
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1N2CCN(CC2)C(=O)C3=CC(=O)NC(=O)N3)C(F)(F)F)Cl

218853

PDB entries from 2024-04-24

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