17801-69-3
8-BROMO-7-ETHYL-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
Name8-BROMO-7-ETHYL-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
1Identification
【Name】
8-BROMO-7-ETHYL-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
【CAS】
【MDL】
MFCD00525082
【English Synonyms】
【Formula】
C9 H11 Br N4 O2
【MolWeight】
287.116
【Inchi】
InChI=1S/C9H11BrN4O2/c1-4-14-5-6(11-8(14)10)12(2)9(16)13(3)7(5)15/h4H2,1-3H3
【InChIKey】
InChIKey=WQTJWJGESBNSKG-UHFFFAOYSA-N
【SMILES】
CCn1c2c(nc1Br)n(c(=O)n(c2=O)C)C
【MOL File】
8-BROMO-7-ETHYL-1,3-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-BROMO-7-ETHYL-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE.cml