HIT ID: HIT211999213
Cas No: 70059-30-2
分子式: C10H17ClN6S
分子量: 288.8
常用名: Cimetidine hydrochloride
氢键受体数 (HBA): 5
氢键供体数 (HBD): 3
LogP: -0.109356105
IUPAC: (E)-N-cyano-N'-methyl-N''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine hydrochloride
IUPAC: (E)-N-cyano-N'-methyl-N''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine hydrochloride
SMILES: Cl.CN\C(NC#N)=N/CCSCc1nc[nH]c1C
SMILES: Cl.CN\C(NC#N)=N/CCSCc1nc[nH]c1C
InChI key: QJHCNBWLPSXHBL-UHFFFAOYSA-N
