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KRP

Summary
Name:3-methyl-5-{[5-(1-methylethyl)-2,6-dioxo-3-propyl-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}benzonitrile
Formula:C19 H21 N3 O3
Formal charge:0
Formula weight:339.388 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.6.13-(2,6-dioxo-5-propan-2-yl-3-propyl-pyrimidin-4-yl)carbonyl-5-methyl-benzenecarbonitrile

Chemical Descriptors

TypeProgramVersionDescriptor
SMILES_CANONICALCACTVS3.352CCCN1C(=O)NC(=O)C(=C1C(=O)c2cc(C)cc(c2)C#N)C(C)C
SMILESCACTVS3.352CCCN1C(=O)NC(=O)C(=C1C(=O)c2cc(C)cc(c2)C#N)C(C)C
SMILES_CANONICALOpenEye OEToolkits1.7.0CCCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)c2cc(cc(c2)C#N)C
SMILESOpenEye OEToolkits1.7.0CCCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)c2cc(cc(c2)C#N)C
InChIInChI1.03InChI=1S/C19H21N3O3/c1-5-6-22-16(15(11(2)3)18(24)21-19(22)25)17(23)14-8-12(4)7-13(9-14)10-20/h7-9,11H,5-6H2,1-4H3,(H,21,24,25)
InChIKeyInChI1.03ZXONPSZUOLSXSE-UHFFFAOYSA-N

219515

PDB entries from 2024-05-08

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