HIT ID: HIT212673408
Cas No: 1883602-21-8
分子式: C18H13N3O3S2
分子量: 383.44
常用名: TES-1025
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 3.1459246
IUPAC: 2-[3-({[5-cyano-6-oxo-4-(thiophen-2-yl)-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)phenyl]acetic acid
IUPAC: 2-[3-({[5-cyano-6-oxo-4-(thiophen-2-yl)-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)phenyl]acetic acid
SMILES: OC(=O)Cc1cccc(CSc2nc(-c3cccs3)c(C#N)c(=O)[nH]2)c1
SMILES: OC(=O)Cc1cccc(CSc2nc(-c3cccs3)c(C#N)c(=O)[nH]2)c1
InChI key: RJQYGCGMQYVVIB-UHFFFAOYSA-N