90162-60-0
7-ISOBUTYL-1,3-DIMETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE
Name7-ISOBUTYL-1,3-DIMETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE
1Identification
【Name】
7-ISOBUTYL-1,3-DIMETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE
【CAS】
【MDL】
MFCD00865151
【English Synonyms】
【Formula】
C11 H16 N4 O2
【MolWeight】
236.273
【Inchi】
InChI=1S/C11H16N4O2/c1-7(2)5-15-6-12-9-8(15)10(16)14(4)11(17)13(9)3/h6-7H,5H2,1-4H3
【InChIKey】
InChIKey=WHUWQSQEVISUMC-UHFFFAOYSA-N
【SMILES】
CC(C)Cn1cnc2c1c(=O)n(c(=O)n2C)C
【MOL File】
7-ISOBUTYL-1,3-DIMET….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
7-ISOBUTYL-1,3-DIMETHYL-3,7-DIHYDRO-PURINE-2,6-DIONE.cml