3-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methyl]-1-methyl-1-nitroso-urea chloride

Systemtic Name: 3-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methyl]-1-methyl-1-nitroso-urea chloride Openeye Name: 3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methyl]-1-methyl-1-nitroso-urea chloride CAS Name: 3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-1-methyl-1-nitrosourea chloride IUPAC Name: 3-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl]-1-methyl-1-nitrosourea chloride Traditional Name: 3-[(3-hydroxy-2-methyl-5-methylol-4-pyridyl)methyl]-1-methyl-1-nitroso-urea chloride Formula: C10H14ClN4O4- MolecularWeight: 289.69556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CNC(=O)N(C)N=O)CO.[Cl-]

Isomeric SMILES

CC1=NC=C(C(=C1O)CNC(=O)N(C)N=O)CO.[Cl-]

InChI

InChI=1S/C10H14N4O4.ClH/c1-6-9(16)8(7(5-15)3-11-6)4-12-10(17)14(2)13-18;/h3,15-16H,4-5H2,1-2H3,(H,12,17);1H/p-1