55441-72-0
7,9-DIHYDRO-3,7,9-TRIMETHYL-1H-PURINE-2,6,8(3H)-TRIONE
Name7,9-DIHYDRO-3,7,9-TRIMETHYL-1H-PURINE-2,6,8(3H)-TRIONE
1Identification
【Name】
7,9-DIHYDRO-3,7,9-TRIMETHYL-1H-PURINE-2,6,8(3H)-TRIONE
【CAS】
【MDL】
MFCD00042780
【English Synonyms】
【Formula】
C8 H10 N4 O3
【MolWeight】
210.192
【Inchi】
InChI=1S/C8H10N4O3/c1-10-4-5(13)9-7(14)11(2)6(4)12(3)8(10)15/h1-3H3,(H,9,13,14)
【InChIKey】
InChIKey=VYWAXKRJTXENCY-UHFFFAOYSA-N
【SMILES】
Cn1c2c(=O)[nH]c(=O)n(c2n(c1=O)C)C
【MOL File】
7,9-DIHYDRO-3,7,9-TR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7,9-DIHYDRO-3,7,9-TRIMETHYL-1H-PURINE-2,6,8(3H)-TRIONE.cml