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

Systemtic Name: 1-(2-chloroethyl)-3-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methyl]urea Openeye Name: 1-(2-chloroethyl)-3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methyl]urea CAS Name: 1-(2-chloroethyl)-3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]urea IUPAC Name: 1-(2-chloroethyl)-3-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl]urea Traditional Name: 1-(2-chloroethyl)-3-[(3-hydroxy-2-methyl-5-methylol-4-pyridyl)methyl]urea Formula: C11H16ClN3O3 MolecularWeight: 273.71604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CNC(=O)NCCCl)CO

Isomeric SMILES

CC1=NC=C(C(=C1O)CNC(=O)NCCCl)CO

InChI

InChI=1S/C11H16ClN3O3/c1-7-10(17)9(8(6-16)4-14-7)5-15-11(18)13-3-2-12/h4,16-17H,2-3,5-6H2,1H3,(H2,13,15,18)