501439-05-0
2-CHLORO-8-ISOPENTYL-5,7-DIMETHYL-7,8-DIHYDROPTERIDIN-6(5H)-ONE
Name2-CHLORO-8-ISOPENTYL-5,7-DIMETHYL-7,8-DIHYDROPTERIDIN-6(5H)-ONE
1Identification
【Name】
2-CHLORO-8-ISOPENTYL-5,7-DIMETHYL-7,8-DIHYDROPTERIDIN-6(5H)-ONE
【CAS】
【MDL】
MFCD12406068
【English Synonyms】
【Formula】
C13 H19 Cl N4 O
【MolWeight】
282.773
【Inchi】
InChI=1S/C13H19ClN4O/c1-8(2)5-6-18-9(3)12(19)17(4)10-7-15-13(14)16-11(10)18/h7-9H,5-6H2,1-4H3
【InChIKey】
InChIKey=LLRYVQACCPOFLA-UHFFFAOYSA-N
【SMILES】
CC1C(=O)N(c2cnc(nc2N1CCC(C)C)Cl)C
【MOL File】
2-CHLORO-8-ISOPENTYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-CHLORO-8-ISOPENTYL-5,7-DIMETHYL-7,8-DIHYDROPTERIDIN-6(5H)-ONE.cml