Catalog Number:
AG01ENOT
Chemical Name:
N6-[(4-nitrophenyl)methyl]-N2-[[3-(trifluoromethyl)phenyl]methyl]-9H-Purine-2,6-diamine
CAS Number:
519178-28-0
Molecular Formula:
C20H16F3N7O2
Molecular Weight:
443.3819
MDL Number:
MFCD16875436
IUPAC Name:
6-N-[(4-nitrophenyl)methyl]-2-N-[[3-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-diamine
InChI:
InChI=1S/C20H16F3N7O2/c21-20(22,23)14-3-1-2-13(8-14)10-25-19-28-17(16-18(29-19)27-11-26-16)24-9-12-4-6-15(7-5-12)30(31)32/h1-8,11H,9-10H2,(H3,24,25,26,27,28,29)
InChI Key:
DDSBPUYZPWNNGH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)CNc1nc(NCc2cccc(c2)C(F)(F)F)nc2c1[nH]cn2
