155272-05-2
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIETHYL-8-(2-(4-HYDROXYPHENYL)ETH ENYL)-7-METHYL-, (E)-
Name1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIETHYL-8-(2-(4-HYDROXYPHENYL)ETH ENYL)-7-METHYL-, (E)-
1Identification
【Name】
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIETHYL-8-(2-(4-HYDROXYPHENYL)ETH ENYL)-7-METHYL-, (E)-
【CAS】
【MDL】
MFCD01757826
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H20 N4 O3
【pro_molWeight】
340.381
【Inchi】
InChI=1S/C18H20N4O3/c1-4-21-16-15(17(24)22(5-2)18(21)25)20(3)14(19-16)11-8-12-6-9-13(23)10-7-12/h6-11,23H,4-5H2,1-3H3/b11-8+
【InChIKey】
InChIKey=KHQLNJCUEMABBR-DHZHZOJOSA-N
【SMILES】
CCn1c2c(c(=O)n(c1=O)CC)n(c(n2)/C=C/c3ccc(cc3)O)C
【MOL File】
1H-PURINE-2,6-DIONE,….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:7
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIETHYL-8-(2-(4-HYDROXYPHENYL)ETH ENYL)-7-METHYL-, (E)-.cml