876495-98-6
1H-PURINE-2,6,8(3H)-TRIONE, 7-ACETYL-7,9-DIHYDRO-1,3-DIMETHYL-
Name1H-PURINE-2,6,8(3H)-TRIONE, 7-ACETYL-7,9-DIHYDRO-1,3-DIMETHYL-
1Identification
【Name】
1H-PURINE-2,6,8(3H)-TRIONE, 7-ACETYL-7,9-DIHYDRO-1,3-DIMETHYL-
【CAS】
【MDL】
MFCD16878865
【English Synonyms】
【Formula】
C9 H10 N4 O4
【MolWeight】
238.202
【Inchi】
InChI=1S/C9H10N4O4/c1-4(14)13-5-6(10-8(13)16)11(2)9(17)12(3)7(5)15/h1-3H3,(H,10,16)
【InChIKey】
InChIKey=RIODCZKSKWPCDQ-UHFFFAOYSA-N
【SMILES】
CC(=O)n1c2c([nH]c1=O)n(c(=O)n(c2=O)C)C
【MOL File】
1H-PURINE-2,6,8(3H)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-PURINE-2,6,8(3H)-TRIONE, 7-ACETYL-7,9-DIHYDRO-1,3-DIMETHYL-.cml