476480-63-4
7-(3-BROMOBENZYL)-3-METHYL-8-(PROPYLAMINO)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
Name7-(3-BROMOBENZYL)-3-METHYL-8-(PROPYLAMINO)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
pro_formulaC16 H18 Br N5 O2
1Identification
【Name】
7-(3-BROMOBENZYL)-3-METHYL-8-(PROPYLAMINO)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
【CAS】
【MDL】
MFCD03933608
【EnglishSynonyms】
【pro_formula】
C16 H18 Br N5 O2
【pro_molWeight】
392.255
【Inchi】
InChI=1S/C16H18BrN5O2/c1-3-7-18-15-19-13-12(14(23)20-16(24)21(13)2)22(15)9-10-5-4-6-11(17)8-10/h4-6,8H,3,7,9H2,1-2H3,(H,18,19)(H,20,23,24)
【InChIKey】
InChIKey=CKOMTIXKMWULCV-UHFFFAOYSA-N
【SMILES】
CCCNc1nc2c(n1Cc3cccc(c3)Br)c(=O)[nH]c(=O)n2C
【MOL File】
7-(3-BROMOBENZYL)-3-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:7
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
7-(3-BROMOBENZYL)-3-METHYL-8-(PROPYLAMINO)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE.cml