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A1CQK

Summary
Name:N-(4-ethylphenyl)-2-[(6-methyl-2-oxo-2,5-dihydropyrimidin-4-yl)sulfanyl]acetamide
Formula:C15 H17 N3 O2 S
Formal charge:0
Formula weight:303.379 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52N-(4-ethylphenyl)-2-[(6-methyl-2-oxo-2,5-dihydropyrimidin-4-yl)sulfanyl]acetamide
OpenEye OEToolkits3.1.0.0~{N}-(4-ethylphenyl)-2-[(6-methyl-2-oxidanylidene-5~{H}-pyrimidin-4-yl)sulfanyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52CC=1CC(SCC(=O)Nc2ccc(CC)cc2)=NC(=O)N=1
InChIInChI1.06InChI=1S/C15H17N3O2S/c1-3-11-4-6-12(7-5-11)17-13(19)9-21-14-8-10(2)16-15(20)18-14/h4-7H,3,8-9H2,1-2H3,(H,17,19)
InChIKeyInChI1.06GKPUXVOOJCGVJF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCc1ccc(NC(=O)CSC2=NC(=O)N=C(C)C2)cc1
SMILESCACTVS3.385CCc1ccc(NC(=O)CSC2=NC(=O)N=C(C)C2)cc1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CCc1ccc(cc1)NC(=O)CSC2=NC(=O)N=C(C2)C
SMILESOpenEye OEToolkits3.1.0.0CCc1ccc(cc1)NC(=O)CSC2=NC(=O)N=C(C2)C

253795

PDB entries from 2026-05-20

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