HIT ID: HIT100911651
Cas No: 519178-28-0
分子式: C20H16F3N7O2
分子量: 443.39
常用名: TNP
氢键受体数 (HBA): 7
氢键供体数 (HBD): 3
LogP: 4.146577
IUPAC: N6-[(4-nitrophenyl)methyl]-N2-{[3-(trifluoromethyl)phenyl]methyl}-9H-purine-2,6-diamine
IUPAC: N6-[(4-nitrophenyl)methyl]-N2-{[3-(trifluoromethyl)phenyl]methyl}-9H-purine-2,6-diamine
SMILES: [O-][N+](=O)c1ccc(CNc2nc(NCc3cccc(c3)C(F)(F)F)nc3[nH]cnc23)cc1
SMILES: [O-][N+](=O)c1ccc(CNc2nc(NCc3cccc(c3)C(F)(F)F)nc3[nH]cnc23)cc1
InChI key: DDSBPUYZPWNNGH-UHFFFAOYSA-N
