271777-98-1
7-ETHYLSULFANYL-2-(2-FLUOROPHENYL)PYRIMIDO[4,5-D][1,3]OXAZIN-4-ONE
Name7-ETHYLSULFANYL-2-(2-FLUOROPHENYL)PYRIMIDO[4,5-D][1,3]OXAZIN-4-ONE
1Identification
【Name】
7-ETHYLSULFANYL-2-(2-FLUOROPHENYL)PYRIMIDO[4,5-D][1,3]OXAZIN-4-ONE
【CAS】
【MDL】
MFCD16659915
【English Synonyms】
【Formula】
C14 H10 F N3 O2 S
【MolWeight】
303.316
【Inchi】
InChI=1S/C14H10FN3O2S/c1-2-21-14-16-7-9-11(18-14)17-12(20-13(9)19)8-5-3-4-6-10(8)15/h3-7H,2H2,1H3
【InChIKey】
InChIKey=WHVYNHOIUDTTTK-UHFFFAOYSA-N
【SMILES】
CCSc1ncc2c(n1)nc(oc2=O)c3ccccc3F
【MOL File】
7-ETHYLSULFANYL-2-(2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-ETHYLSULFANYL-2-(2-FLUOROPHENYL)PYRIMIDO[4,5-D][1,3]OXAZIN-4-ONE.cml