830-65-9
1,3,8-TRIMETHYL-2,3,6,9-TETRAHYDRO-1H-PURINE-2,6-DIONE
Name1,3,8-TRIMETHYL-2,3,6,9-TETRAHYDRO-1H-PURINE-2,6-DIONE
1Identification
【Name】
1,3,8-TRIMETHYL-2,3,6,9-TETRAHYDRO-1H-PURINE-2,6-DIONE
【CAS】
【MDL】
MFCD01438434
【English Synonyms】
【Formula】
C8 H10 N4 O2
【MolWeight】
194.193
【Inchi】
InChI=1S/C8H10N4O2/c1-4-9-5-6(10-4)11(2)8(14)12(3)7(5)13/h1-3H3,(H,9,10)
【InChIKey】
InChIKey=WZBKGWBHAPBSBF-UHFFFAOYSA-N
【SMILES】
Cc1[nH]c2c(n1)c(=O)n(c(=O)n2C)C
【MOL File】
1,3,8-TRIMETHYL-2,3,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,3,8-TRIMETHYL-2,3,6,9-TETRAHYDRO-1H-PURINE-2,6-DIONE.cml