HIT ID: HIT100209927
Cas No: 51481-61-9
分子式: C10H16N6S
分子量: 252.34
常用名: Cimetidine
氢键受体数 (HBA): 0
氢键供体数 (HBD): 3
LogP: 0.261
IUPAC: (Z)-N''-cyano-N-methyl-N'-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine
IUPAC: (Z)-N''-cyano-N-methyl-N'-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine
SMILES: CN\C(NCCSCc1nc[nH]c1C)=N\C#N
SMILES: CN\C(NCCSCc1nc[nH]c1C)=N\C#N
InChI key: AQIXAKUUQRKLND-UHFFFAOYSA-N
