HIT ID: HIT211237110
Cas No: 688347-51-5
分子式: C22H15N3O3S2
分子量: 433.5
常用名: Compound T28837(SC)
氢键受体数 (HBA): 5
氢键供体数 (HBD): 0
LogP: 4.226900000000000e+000
IUPAC: 4-[(2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl)methyl]benzoic acid
IUPAC: 4-[(2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl)methyl]benzoic acid
SMILES: OC(=O)c1ccc(Cn2c(SCc3ccccc3C#N)nc3ccsc3c2=O)cc1
SMILES: OC(=O)c1ccc(Cn2c(SCc3ccccc3C#N)nc3ccsc3c2=O)cc1
InChI key: UWWSCLNCHCROLL-UHFFFAOYSA-N
