220654-99-9
N'-[(2,4-DIOXO-6-METHYL-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)SULPHONYL]ISONICOTINOHYDRAZIDE
NameN'-[(2,4-DIOXO-6-METHYL-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)SULPHONYL]ISONICOTINOHYDRAZIDE
pro_formulaC11 H11 N5 O5 S
1Identification
【Name】
N'-[(2,4-DIOXO-6-METHYL-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)SULPHONYL]ISONICOTINOHYDRAZIDE
【CAS】
【MDL】
MFCD02339902
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C11 H11 N5 O5 S
【pro_molWeight】
325.304
【Inchi】
InChI=1S/C11H11N5O5S/c1-6-8(10(18)14-11(19)13-6)22(20,21)16-15-9(17)7-2-4-12-5-3-7/h2-5,16H,1H3,(H,15,17)(H2,13,14,18,19)
【InChIKey】
InChIKey=WMPAXWJRRGZHCP-UHFFFAOYSA-N
【SMILES】
Cc1c(c(=O)[nH]c(=O)[nH]1)S(=O)(=O)NNC(=O)c2ccncc2
【MOL File】
N'-[(2,4-DIOXO-6-MET….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:4
pro_acceptors:10
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N'-[(2,4-DIOXO-6-METHYL-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)SULPHONYL]ISONICOTINOHYDRAZIDE.cml