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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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