(4,6-dimethyl-5-oxidanyl-pyridin-3-yl)methyl carbamimidothioate

Systemtic Name: (4,6-dimethyl-5-oxidanyl-pyridin-3-yl)methyl carbamimidothioate Openeye Name: 2-[(5-hydroxy-4,6-dimethyl-3-pyridyl)methyl]isothiourea CAS Name: carbamimidothioic acid (5-hydroxy-4,6-dimethyl-3-pyridinyl)methyl ester IUPAC Name: (5-hydroxy-4,6-dimethylpyridin-3-yl)methyl carbamimidothioate Traditional Name: 2-[(5-hydroxy-4,6-dimethyl-3-pyridyl)methyl]isothiourea Formula: C9H13N3OS MolecularWeight: 211.28402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1CSC(=N)N)C)O

Isomeric SMILES

CC1=C(C(=NC=C1CSC(=N)N)C)O

InChI

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