1-[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl]thiourea

Systemtic Name: 1-[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl]thiourea Openeye Name: [5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methylthiourea CAS Name: [5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylthiourea IUPAC Name: [5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methylthiourea Traditional Name: (5-hydroxy-6-methyl-4-methylol-3-pyridyl)methylthiourea Formula: C9H13N3O2S MolecularWeight: 227.28342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)CNC(=S)N

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)CNC(=S)N

InChI

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