78740-20-2
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-7-(2,3-DIHYDROXYPROPYL)-1,3-DIMETHYL-8-((PHENYLMETHYL)AMINO)-
Name1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-7-(2,3-DIHYDROXYPROPYL)-1,3-DIMETHYL-8-((PHENYLMETHYL)AMINO)-
1Identification
【Name】
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-7-(2,3-DIHYDROXYPROPYL)-1,3-DIMETHYL-8-((PHENYLMETHYL)AMINO)-
【CAS】
【MDL】
MFCD01694364
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H21 N5 O4
【pro_molWeight】
359.384
【Inchi】
InChI=1S/C17H21N5O4/c1-20-14-13(15(25)21(2)17(20)26)22(9-12(24)10-23)16(19-14)18-8-11-6-4-3-5-7-11/h3-7,12,23-24H,8-10H2,1-2H3,(H,18,19)
【InChIKey】
InChIKey=QKNAVASCRUCJEC-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)n(c1=O)C)n(c(n2)NCc3ccccc3)CC(CO)O
【MOL File】
1H-PURINE-2,6-DIONE,….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:9
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-7-(2,3-DIHYDROXYPROPYL)-1,3-DIMETHYL-8-((PHENYLMETHYL)AMINO)-.cml