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

Systemtic Name: 1-[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl]thiourea dihydrochloride Openeye Name: [5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methylthiourea dihydrochloride CAS Name: [5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methylthiourea dihydrochloride IUPAC Name: [5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methylthiourea dihydrochloride Traditional Name: (5-hydroxy-6-methyl-4-methylol-3-pyridyl)methylthiourea dihydrochloride Formula: C9H15Cl2N3O2S MolecularWeight: 300.2053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N3O2S.2ClH/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);2*1H