(3-oxidanylpyridin-2-yl)methyl carbamimidothioate dihydrate dihydrochloride

Systemtic Name: (3-oxidanylpyridin-2-yl)methyl carbamimidothioate dihydrate dihydrochloride Openeye Name: 2-[(3-hydroxy-2-pyridyl)methyl]isothiourea dihydrate dihydrochloride CAS Name: carbamimidothioic acid (3-hydroxy-2-pyridinyl)methyl ester dihydrate dihydrochloride IUPAC Name: (3-hydroxypyridin-2-yl)methyl carbamimidothioate dihydrate dihydrochloride Traditional Name: 2-[(3-hydroxy-2-pyridyl)methyl]isothiourea dihydrate dihydrochloride Formula: C7H15Cl2N3O3S MolecularWeight: 292.1833

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)CSC(=N)N)O.O.O.Cl.Cl

Isomeric SMILES

C1=CC(=C(N=C1)CSC(=N)N)O.O.O.Cl.Cl

InChI

InChI=1S/C7H9N3OS.2ClH.2H2O/c8-7(9)12-4-5-6(11)2-1-3-10-5;;;;/h1-3,11H,4H2,(H3,8,9);2*1H;2*1H2