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EWY

Summary
Name:3-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
Formula:C13 H13 N3 O4 S2
Formal charge:0
Formula weight:339.39 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide
OpenEye OEToolkits1.7.63-[2-[(4-methyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2C=C(N=C(SCC(=O)c1cccc(c1)S(=O)(=O)N)N2)C
InChIInChI1.03InChI=1S/C13H13N3O4S2/c1-8-5-12(18)16-13(15-8)21-7-11(17)9-3-2-4-10(6-9)22(14,19)20/h2-6H,7H2,1H3,(H2,14,19,20)(H,15,16,18)
InChIKeyInChI1.03NYRNFJQJOXIJHL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC1=CC(=O)NC(=N1)SCC(=O)c2cccc(c2)[S](N)(=O)=O
SMILESCACTVS3.385CC1=CC(=O)NC(=N1)SCC(=O)c2cccc(c2)[S](N)(=O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6CC1=CC(=O)NC(=N1)SCC(=O)c2cccc(c2)S(=O)(=O)N
SMILESOpenEye OEToolkits1.7.6CC1=CC(=O)NC(=N1)SCC(=O)c2cccc(c2)S(=O)(=O)N

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PDB entries from 2024-07-10

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