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HQQ

Summary
Name:5-METHYL-5-(4-PHENOXY-PHENYL)-PYRIMIDINE-2,4,6-TRIONE
Formula:C17 H14 N2 O4
Formal charge:0
Formula weight:310.304 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-methyl-5-(4-phenoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
OpenEye OEToolkits1.5.05-methyl-5-(4-phenoxyphenyl)-1,3-diazinane-2,4,6-trione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1NC(=O)NC(=O)C1(c3ccc(Oc2ccccc2)cc3)C
SMILES_CANONICALCACTVS3.341CC1(C(=O)NC(=O)NC1=O)c2ccc(Oc3ccccc3)cc2
SMILESCACTVS3.341CC1(C(=O)NC(=O)NC1=O)c2ccc(Oc3ccccc3)cc2
SMILES_CANONICALOpenEye OEToolkits1.5.0CC1(C(=O)NC(=O)NC1=O)c2ccc(cc2)Oc3ccccc3
SMILESOpenEye OEToolkits1.5.0CC1(C(=O)NC(=O)NC1=O)c2ccc(cc2)Oc3ccccc3
InChIInChI1.03InChI=1S/C17H14N2O4/c1-17(14(20)18-16(22)19-15(17)21)11-7-9-13(10-8-11)23-12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,19,20,21,22)
InChIKeyInChI1.03RTBMLCLTYAPKIF-UHFFFAOYSA-N

250835

PDB entries from 2026-03-18

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