77J

N-hydroxy-3-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanamide

Created:2016-03-09
Last modified:  2017-03-29

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Chemical Details

Formal Charge0
Atom Count33
Chiral Atom Count0
Bond Count34
Aromatic Bond Count6
2D diagram of 77J

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Chemical Component Summary

NameN-hydroxy-3-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanamide
Systematic Name (OpenEye OEToolkits)N-oxidanyl-3-[(6-oxidanylidene-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
FormulaC13 H13 N3 O3 S
Molecular Weight291.326
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C=1(NC(=O)C=C(N=1)c2ccccc2)SCCC(NO)=O
SMILESCACTVS3.385ONC(=O)CCSC1=NC(=CC(=O)N1)c2ccccc2
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)C2=CC(=O)NC(=N2)SCCC(=O)NO
Canonical SMILESCACTVS3.385 ONC(=O)CCSC1=NC(=CC(=O)N1)c2ccccc2
Canonical SMILESOpenEye OEToolkits1.7.6 c1ccc(cc1)C2=CC(=O)NC(=N2)SCCC(=O)NO
InChIInChI1.03 InChI=1S/C13H13N3O3S/c17-11(16-19)6-7-20-13-14-10(8-12(18)15-13)9-4-2-1-3-5-9/h1-5,8,19H,6-7H2,(H,16,17)(H,14,15,18)
InChIKeyInChI1.03 WNPFBIDOQFZHQF-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 16087122, 135541986
ChEMBL CHEMBL413733