155271-27-5
(E)-8-(2,5-DIMETHYLSTYRYL)-1,3-DIETHYL-7-METHYLXANTHINE
Name(E)-8-(2,5-DIMETHYLSTYRYL)-1,3-DIETHYL-7-METHYLXANTHINE
1Identification
【Name】
(E)-8-(2,5-DIMETHYLSTYRYL)-1,3-DIETHYL-7-METHYLXANTHINE
【CAS】
【MDL】
MFCD01757809
【English Synonyms】
【Formula】
C20 H24 N4 O2
【MolWeight】
352.436
【Inchi】
InChI=1S/C20H24N4O2/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(5)16(21-18)11-10-15-12-13(3)8-9-14(15)4/h8-12H,6-7H2,1-5H3/b11-10+
【InChIKey】
InChIKey=NHYDMTSWVYYMOZ-ZHACJKMWSA-N
【SMILES】
CCn1c2c(c(=O)n(c1=O)CC)n(c(n2)/C=C/c3cc(ccc3C)C)C
【MOL File】
(E)-8-(2,5-DIMETHYLS….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(E)-8-(2,5-DIMETHYLSTYRYL)-1,3-DIETHYL-7-METHYLXANTHINE.cml