155271-42-4
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-8-(2-(2-CHLORO-3,4-DIMETHOXYPHENYL)ET HENYL)-1,3-DIETHYL-, (E)-
Name1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-8-(2-(2-CHLORO-3,4-DIMETHOXYPHENYL)ET HENYL)-1,3-DIETHYL-, (E)-
pro_formulaC19 H21 Cl N4 O4
1Identification
【Name】
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-8-(2-(2-CHLORO-3,4-DIMETHOXYPHENYL)ET HENYL)-1,3-DIETHYL-, (E)-
【CAS】
【MDL】
MFCD01757777
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H21 Cl N4 O4
【pro_molWeight】
404.852
【Inchi】
InChI=1S/C19H21ClN4O4/c1-5-23-17-15(18(25)24(6-2)19(23)26)21-13(22-17)10-8-11-7-9-12(27-3)16(28-4)14(11)20/h7-10H,5-6H2,1-4H3,(H,21,22)/b10-8+
【InChIKey】
InChIKey=ZNDCDCSHKOAZIS-CSKARUKUSA-N
【SMILES】
CCn1c2c(c(=O)n(c1=O)CC)[nH]c(n2)/C=C/c3ccc(c(c3Cl)OC)OC
【MOL File】
1H-PURINE-2,6-DIONE,….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:8
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-8-(2-(2-CHLORO-3,4-DIMETHOXYPHENYL)ET HENYL)-1,3-DIETHYL-, (E)-.cml