228247-60-7
8-BROMO-1,3-DIMETHYL-7-PHENETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
Name8-BROMO-1,3-DIMETHYL-7-PHENETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
1Identification
【Name】
8-BROMO-1,3-DIMETHYL-7-PHENETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
【CAS】
【MDL】
MFCD00829254
【English Synonyms】
【Formula】
C15 H15 Br N4 O2
【MolWeight】
363.214
【Inchi】
InChI=1S/C15H15BrN4O2/c1-18-12-11(13(21)19(2)15(18)22)20(14(16)17-12)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
【InChIKey】
InChIKey=LKPLLCQMOAHILQ-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)n(c1=O)C)n(c(n2)Br)CCc3ccccc3
【MOL File】
8-BROMO-1,3-DIMETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-BROMO-1,3-DIMETHYL-7-PHENETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE.cml