HIT ID: HIT101167636
Cas No: 522660-61-3
分子式: C20H18N6OS2
分子量: 422.53
常用名: SARS-CoV-2 nsp13-IN-2
氢键受体数 (HBA): 1
氢键供体数 (HBD): 4
LogP: 3.917
IUPAC: N'-{4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-6-oxo-1,6-dihydropyrimidin-2-yl}-N-(4-methylphenyl)guanidine
IUPAC: N'-{4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-6-oxo-1,6-dihydropyrimidin-2-yl}-N-(4-methylphenyl)guanidine
SMILES: Cc1ccc(NC(=N)Nc2nc(CSc3nc4ccccc4s3)cc(=O)[nH]2)cc1
SMILES: Cc1ccc(NC(=N)Nc2nc(CSc3nc4ccccc4s3)cc(=O)[nH]2)cc1
InChI key: DNQBBFZKWCDKDV-UHFFFAOYSA-N
