105522-60-9
7-(2-PHENOXYETHYL)-8-(2-FURYLMETHYLAMINO)-3-METHYLXANTHINE
Name7-(2-PHENOXYETHYL)-8-(2-FURYLMETHYLAMINO)-3-METHYLXANTHINE
1Identification
【Name】
7-(2-PHENOXYETHYL)-8-(2-FURYLMETHYLAMINO)-3-METHYLXANTHINE
【CAS】
【MDL】
MFCD01087379
【English Synonyms】
【Formula】
C19 H19 N5 O4
【MolWeight】
381.39
【Inchi】
InChI=1S/C19H19N5O4/c1-23-16-15(17(25)22-19(23)26)24(9-11-28-13-6-3-2-4-7-13)18(21-16)20-12-14-8-5-10-27-14/h2-8,10H,9,11-12H2,1H3,(H,20,21)(H,22,25,26)
【InChIKey】
InChIKey=JURHQZDDCLXXTD-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)[nH]c1=O)n(c(n2)NCc3ccco3)CCOc4ccccc4
【MOL File】
7-(2-PHENOXYETHYL)-8….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-(2-PHENOXYETHYL)-8-(2-FURYLMETHYLAMINO)-3-METHYLXANTHINE.cml