61379-38-2
2-HYDROXYETHYL 1,2,3,6-TETRAHYDRO-1,3-DIMETHYL-2,6-DIOXO-7H-PURINE-7-ACETATE
Name2-HYDROXYETHYL 1,2,3,6-TETRAHYDRO-1,3-DIMETHYL-2,6-DIOXO-7H-PURINE-7-ACETATE
1Identification
【Name】
2-HYDROXYETHYL 1,2,3,6-TETRAHYDRO-1,3-DIMETHYL-2,6-DIOXO-7H-PURINE-7-ACETATE
【CAS】
【MDL】
MFCD02102185
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C11 H14 N4 O5
【pro_molWeight】
282.255
【Inchi】
InChI=1S/C11H14N4O5/c1-13-9-8(10(18)14(2)11(13)19)15(6-12-9)5-7(17)20-4-3-16/h6,16H,3-5H2,1-2H3
【InChIKey】
InChIKey=BSHFGYOWIYPMDN-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)n(c1=O)C)n(cn2)CC(=O)OCCO
【MOL File】
2-HYDROXYETHYL 1,2,3….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:9
XLogP3:-1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-HYDROXYETHYL 1,2,3,6-TETRAHYDRO-1,3-DIMETHYL-2,6-DIOXO-7H-PURINE-7-ACETATE.cml