55441-63-9
7,9-DIHYDRO-3,9-DIMETHYL-1H-PURINE-2,6,8(3H)-TRIONE
Name7,9-DIHYDRO-3,9-DIMETHYL-1H-PURINE-2,6,8(3H)-TRIONE
1Identification
【Name】
7,9-DIHYDRO-3,9-DIMETHYL-1H-PURINE-2,6,8(3H)-TRIONE
【CAS】
【MDL】
MFCD00042770
【English Synonyms】
【Formula】
C7 H8 N4 O3
【MolWeight】
196.165
【Inchi】
InChI=1S/C7H8N4O3/c1-10-5-3(8-6(10)13)4(12)9-7(14)11(5)2/h1-2H3,(H,8,13)(H,9,12,14)
【InChIKey】
InChIKey=HCUXKVFCFSVKHK-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)[nH]c(=O)n2C)[nH]c1=O
【MOL File】
7,9-DIHYDRO-3,9-DIME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7,9-DIHYDRO-3,9-DIMETHYL-1H-PURINE-2,6,8(3H)-TRIONE.cml