376624-63-4
7-ALLYL-8-(DIMETHYLAMINO)-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
Name7-ALLYL-8-(DIMETHYLAMINO)-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
1Identification
【Name】
7-ALLYL-8-(DIMETHYLAMINO)-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
【CAS】
【MDL】
MFCD02982350
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C11 H15 N5 O2
【pro_molWeight】
249.273
【Inchi】
InChI=1S/C11H15N5O2/c1-5-6-16-7-8(12-10(16)14(2)3)15(4)11(18)13-9(7)17/h5H,1,6H2,2-4H3,(H,13,17,18)
【InChIKey】
InChIKey=ZMNHTANGIBEQQG-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)[nH]c1=O)n(c(n2)N(C)C)CC=C
【MOL File】
7-ALLYL-8-(DIMETHYLA….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:7
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
7-ALLYL-8-(DIMETHYLAMINO)-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE.cml