577962-42-6
2-((4-BROMOBENZYL)THIO)-3-ETHYL-5,6-DIMETHYLTHIENO(2,3-D)PYRIMIDIN-4(3H)-ONE
Name2-((4-BROMOBENZYL)THIO)-3-ETHYL-5,6-DIMETHYLTHIENO(2,3-D)PYRIMIDIN-4(3H)-ONE
pro_formulaC17 H17 Br N2 O S2
1Identification
【Name】
2-((4-BROMOBENZYL)THIO)-3-ETHYL-5,6-DIMETHYLTHIENO(2,3-D)PYRIMIDIN-4(3H)-ONE
【CAS】
【MDL】
MFCD04028718
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H17 Br N2 O S2
【pro_molWeight】
409.37
【Inchi】
InChI=1S/C17H17BrN2OS2/c1-4-20-16(21)14-10(2)11(3)23-15(14)19-17(20)22-9-12-5-7-13(18)8-6-12/h5-8H,4,9H2,1-3H3
【InChIKey】
InChIKey=KTANXIOXRYKUFC-UHFFFAOYSA-N
【SMILES】
CCn1c(=O)c2c(c(sc2nc1SCc3ccc(cc3)Br)C)C
【MOL File】
2-((4-BROMOBENZYL)TH….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:3
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-((4-BROMOBENZYL)THIO)-3-ETHYL-5,6-DIMETHYLTHIENO(2,3-D)PYRIMIDIN-4(3H)-ONE.cml