(2,6-dimethyl-3-oxidanyl-pyridin-4-yl)methyl carbamimidothioate dihydrochloride

Systemtic Name: (2,6-dimethyl-3-oxidanyl-pyridin-4-yl)methyl carbamimidothioate dihydrochloride Openeye Name: 2-[(3-hydroxy-2,6-dimethyl-4-pyridyl)methyl]isothiourea dihydrochloride CAS Name: carbamimidothioic acid (3-hydroxy-2,6-dimethyl-4-pyridinyl)methyl ester dihydrochloride IUPAC Name: (3-hydroxy-2,6-dimethylpyridin-4-yl)methyl carbamimidothioate dihydrochloride Traditional Name: 2-[(3-hydroxy-2,6-dimethyl-4-pyridyl)methyl]isothiourea dihydrochloride Formula: C9H15Cl2N3OS MolecularWeight: 284.2059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)CSC(=N)N)O)C.Cl.Cl

Isomeric SMILES

CC1=NC(=C(C(=C1)CSC(=N)N)O)C.Cl.Cl

InChI

InChI=1S/C9H13N3OS.2ClH/c1-5-3-7(4-14-9(10)11)8(13)6(2)12-5;;/h3,13H,4H2,1-2H3,(H3,10,11);2*1H