[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl carbamimidothioate

Systemtic Name: [4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl carbamimidothioate Openeye Name: 2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyl]isothiourea CAS Name: carbamimidothioic acid [5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl ester IUPAC Name: [5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl carbamimidothioate Traditional Name: 2-[(5-hydroxy-6-methyl-4-methylol-3-pyridyl)methyl]isothiourea Formula: C9H13N3O2S MolecularWeight: 227.28342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)CSC(=N)N

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)CSC(=N)N

InChI

InChI=1S/C9H13N3O2S/c1-5-8(14)7(3-13)6(2-12-5)4-15-9(10)11/h2,13-14H,3-4H2,1H3,(H3,10,11)