59234-93-4
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIMETHYL-7-(1-OXOOCTYL)-
Name1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIMETHYL-7-(1-OXOOCTYL)-
1Identification
【Name】
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIMETHYL-7-(1-OXOOCTYL)-
【CAS】
【MDL】
MFCD18809303
【English Synonyms】
【Formula】
C15 H22 N4 O3
【MolWeight】
306.364
【Inchi】
InChI=1S/C15H22N4O3/c1-4-5-6-7-8-9-11(20)19-10-16-13-12(19)14(21)18(3)15(22)17(13)2/h10H,4-9H2,1-3H3
【InChIKey】
InChIKey=JPDZWYPFGAIDMC-UHFFFAOYSA-N
【SMILES】
CCCCCCCC(=O)n1cnc2c1c(=O)n(c(=O)n2C)C
【MOL File】
1H-PURINE-2,6-DIONE,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIMETHYL-7-(1-OXOOCTYL)-.cml