91456-80-3
8-BENZYL-1,7-DIMETHYL-1H-IMIDAZO(2,1-F)PURINE-2,4(3H,8H)-DIONE
Name8-BENZYL-1,7-DIMETHYL-1H-IMIDAZO(2,1-F)PURINE-2,4(3H,8H)-DIONE
1Identification
【Name】
8-BENZYL-1,7-DIMETHYL-1H-IMIDAZO(2,1-F)PURINE-2,4(3H,8H)-DIONE
【CAS】
【MDL】
MFCD03933750
【English Synonyms】
【Formula】
C16 H15 N5 O2
【MolWeight】
309.328
【Inchi】
InChI=1S/C16H15N5O2/c1-10-8-21-12-13(19(2)16(23)18-14(12)22)17-15(21)20(10)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,18,22,23)
【InChIKey】
InChIKey=CCLSOXNLCYHQPK-UHFFFAOYSA-N
【SMILES】
Cc1cn2c3c(=O)[nH]c(=O)n(c3nc2n1Cc4ccccc4)C
【MOL File】
8-BENZYL-1,7-DIMETHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-BENZYL-1,7-DIMETHYL-1H-IMIDAZO(2,1-F)PURINE-2,4(3H,8H)-DIONE.cml