81250-25-1
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-8-METHYL-3-(2-METHYLPROPYL)-1-PROPYL-
Name1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-8-METHYL-3-(2-METHYLPROPYL)-1-PROPYL-
1Identification
【Name】
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-8-METHYL-3-(2-METHYLPROPYL)-1-PROPYL-
【CAS】
【MDL】
MFCD01757926
【English Synonyms】
【Formula】
C13 H20 N4 O2
【MolWeight】
264.327
【Inchi】
InChI=1S/C13H20N4O2/c1-5-6-16-12(18)10-11(15-9(4)14-10)17(13(16)19)7-8(2)3/h8H,5-7H2,1-4H3,(H,14,15)
【InChIKey】
InChIKey=MXCWVLPCPQZMFT-UHFFFAOYSA-N
【SMILES】
CCCn1c(=O)c2c(nc([nH]2)C)n(c1=O)CC(C)C
【MOL File】
1H-PURINE-2,6-DIONE,….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
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-8-METHYL-3-(2-METHYLPROPYL)-1-PROPYL-.cml