52172-11-9
2-BENZYLTHIO-6-(3,3-DIMETHYLALLYLAMINO)PURINE
Name2-BENZYLTHIO-6-(3,3-DIMETHYLALLYLAMINO)PURINE
1Identification
【Name】
2-BENZYLTHIO-6-(3,3-DIMETHYLALLYLAMINO)PURINE
【CAS】
【MDL】
MFCD18641943
【English Synonyms】
【Formula】
C17 H19 N5 S
【MolWeight】
325.438
【Inchi】
InChI=1S/C17H19N5S/c1-12(2)8-9-18-15-14-16(20-11-19-14)22-17(21-15)23-10-13-6-4-3-5-7-13/h3-8,11H,9-10H2,1-2H3,(H2,18,19,20,21,22)
【InChIKey】
InChIKey=TZDCWZYMCVABED-UHFFFAOYSA-N
【SMILES】
CC(=CCNc1c2c(nc[nH]2)nc(n1)SCc3ccccc3)C
【MOL File】
2-BENZYLTHIO-6-(3,3-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-BENZYLTHIO-6-(3,3-DIMETHYLALLYLAMINO)PURINE.cml