HIT ID: HIT218852388
Cas No: 1100319-36-5
分子式: C20H12ClF3N5NaO3S
分子量: 517.84
常用名: Ilacirnon sodium
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: sodium N-[4-chloro-3-(trifluoromethyl)benzenesulfonyl]-5-methyl-2-{7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl}pyridin-3-aminide
IUPAC: sodium N-[4-chloro-3-(trifluoromethyl)benzenesulfonyl]-5-methyl-2-{7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl}pyridin-3-aminide
SMILES: [Na+].Cc1cnc(C(=O)c2ncnc3[nH]ccc23)c([N-]S(=O)(=O)c2ccc(Cl)c(c2)C(F)(F)F)c1
SMILES: [Na+].Cc1cnc(C(=O)c2ncnc3[nH]ccc23)c([N-]S(=O)(=O)c2ccc(Cl)c(c2)C(F)(F)F)c1
InChI key: GJTHOZVZZCTXOH-UHFFFAOYSA-M
