52083-48-4
4-(1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL)BUTANOIC ACID
Name4-(1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL)BUTANOIC ACID
1Identification
【Name】
4-(1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL)BUTANOIC ACID
【CAS】
【MDL】
MFCD06357903
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C11 H14 N4 O4
【pro_molWeight】
266.256
【Inchi】
InChI=1S/C11H14N4O4/c1-13-9-8(10(18)14(2)11(13)19)15(6-12-9)5-3-4-7(16)17/h6H,3-5H2,1-2H3,(H,16,17)
【InChIKey】
InChIKey=KCQMWMWEALWVLJ-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCCC(=O)O
【MOL File】
4-(1,3-DIMETHYL-2,6-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:8
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-(1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL)BUTANOIC ACID.cml