HIT ID: HIT212036876
Cas No: 2097523-60-7
分子式: C30H29F2N5O5S
分子量: 609.65
常用名: Pulrodemstat benzenesulfonate
氢键受体数 (HBA): 6
氢键供体数 (HBD): 1
LogP: 2.1387975
IUPAC: 4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile; benzenesulfonic acid
IUPAC: 4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile; benzenesulfonic acid
SMILES: OS(=O)(=O)c1ccccc1.COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
SMILES: OS(=O)(=O)c1ccccc1.COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
InChI key: AWZCBGWZNHQCIZ-UHFFFAOYSA-N
