[4-[(2-bromanylethanoylamino)methyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate

Systemtic Name: [4-[(2-bromanylethanoylamino)methyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate Openeye Name: [4-[[(2-bromoacetyl)amino]methyl]-5-hydroxy-6-methyl-3-pyridyl]methyl dihydrogen phosphate CAS Name: [4-[[(2-bromo-1-oxoethyl)amino]methyl]-5-hydroxy-6-methyl-3-pyridinyl]methyl dihydrogen phosphate IUPAC Name: [4-[[(2-bromoacetyl)amino]methyl]-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate Traditional Name: [4-[[(2-bromoacetyl)amino]methyl]-5-hydroxy-6-methyl-3-pyridyl]methyl dihydrogen phosphate Formula: C10H14BrN2O6P MolecularWeight: 369.105721

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CNC(=O)CBr)COP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)CNC(=O)CBr)COP(=O)(O)O

InChI

InChI=1S/C10H14BrN2O6P/c1-6-10(15)8(4-13-9(14)2-11)7(3-12-6)5-19-20(16,17)18/h3,15H,2,4-5H2,1H3,(H,13,14)(H2,16,17,18)