332384-51-7
7-((4-CL-PHENOXY)ME)-1-ME-6,7-DIHYDRO(1,3)OXAZOLO(2,3-F)PURINE-2,4(1H,3H)-DIONE
Name7-((4-CL-PHENOXY)ME)-1-ME-6,7-DIHYDRO(1,3)OXAZOLO(2,3-F)PURINE-2,4(1H,3H)-DIONE
1Identification
【Name】
7-((4-CL-PHENOXY)ME)-1-ME-6,7-DIHYDRO(1,3)OXAZOLO(2,3-F)PURINE-2,4(1H,3H)-DIONE
【CAS】
【MDL】
MFCD02049359
【English Synonyms】
【Formula】
C15 H13 Cl N4 O4
【MolWeight】
348.745
【Inchi】
InChI=1S/C15H13ClN4O4/c1-19-12-11(13(21)18-14(19)22)20-6-10(24-15(20)17-12)7-23-9-4-2-8(16)3-5-9/h2-5,10H,6-7H2,1H3,(H,18,21,22)
【InChIKey】
InChIKey=YUKBQZBKWAMWGK-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)[nH]c1=O)n3c(n2)OC(C3)COc4ccc(cc4)Cl
【MOL File】
7-((4-CL-PHENOXY)ME)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-((4-CL-PHENOXY)ME)-1-ME-6,7-DIHYDRO(1,3)OXAZOLO(2,3-F)PURINE-2,4(1H,3H)-DIONE.cml