Cimetidine

Molecular Weight (g/mol)

252.34

Molecular Formula

C10H16N6S

InChI

InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)

InChIKey

AQIXAKUUQRKLND-UHFFFAOYSA-N

SMILES

CC1=C(N=CN1)CSCCNC(=NC)NC#N

IUPAC Name

1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine

Exact Mass (Da)

252.11571571

Monoisotopic Mass (Da)

252.11571571