[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methyl carbamimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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