226092-73-5
1,6-DIHYDRO-1-METHYL-2-(METHYLTHIO)-6-OXO-4-(4-PYRIDINYL)-5-PYRIMIDINECARBONITRILE
Name1,6-DIHYDRO-1-METHYL-2-(METHYLTHIO)-6-OXO-4-(4-PYRIDINYL)-5-PYRIMIDINECARBONITRILE
pro_formulaC12 H10 N4 O S
1Identification
【Name】
1,6-DIHYDRO-1-METHYL-2-(METHYLTHIO)-6-OXO-4-(4-PYRIDINYL)-5-PYRIMIDINECARBONITRILE
【CAS】
【MDL】
MFCD15071817
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C12 H10 N4 O S
【pro_molWeight】
258.304
【Inchi】
InChI=1S/C12H10N4OS/c1-16-11(17)9(7-13)10(15-12(16)18-2)8-3-5-14-6-4-8/h3-6H,1-2H3
【InChIKey】
InChIKey=KAOOUQPEJSKGLD-UHFFFAOYSA-N
【SMILES】
Cn1c(=O)c(c(nc1SC)c2ccncc2)C#N
【MOL File】
1,6-DIHYDRO-1-METHYL….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:5
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1,6-DIHYDRO-1-METHYL-2-(METHYLTHIO)-6-OXO-4-(4-PYRIDINYL)-5-PYRIMIDINECARBONITRILE.cml