587011-26-5
2-(BENZYLTHIO)-3-ETHYL-5,6-DIMETHYLTHIENO(2,3-D)PYRIMIDIN-4(3H)-ONE
Name2-(BENZYLTHIO)-3-ETHYL-5,6-DIMETHYLTHIENO(2,3-D)PYRIMIDIN-4(3H)-ONE
pro_formulaC17 H18 N2 O S2
1Identification
【Name】
2-(BENZYLTHIO)-3-ETHYL-5,6-DIMETHYLTHIENO(2,3-D)PYRIMIDIN-4(3H)-ONE
【CAS】
【MDL】
MFCD04033803
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H18 N2 O S2
【pro_molWeight】
330.474
【Inchi】
InChI=1S/C17H18N2OS2/c1-4-19-16(20)14-11(2)12(3)22-15(14)18-17(19)21-10-13-8-6-5-7-9-13/h5-9H,4,10H2,1-3H3
【InChIKey】
InChIKey=FRHSVLLPFLVUBJ-UHFFFAOYSA-N
【SMILES】
CCn1c(=O)c2c(c(sc2nc1SCc3ccccc3)C)C
【MOL File】
2-(BENZYLTHIO)-3-ETH….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:3
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-(BENZYLTHIO)-3-ETHYL-5,6-DIMETHYLTHIENO(2,3-D)PYRIMIDIN-4(3H)-ONE.cml