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

Systemtic Name: [4-[(5-azanylidenepentylamino)methyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate Openeye Name: [5-hydroxy-4-[(5-iminopentylamino)methyl]-6-methyl-3-pyridyl]methyl dihydrogen phosphate CAS Name: [5-hydroxy-4-[(5-iminopentylamino)methyl]-6-methyl-3-pyridinyl]methyl dihydrogen phosphate IUPAC Name: [5-hydroxy-4-[(5-iminopentylamino)methyl]-6-methylpyridin-3-yl]methyl dihydrogen phosphate Traditional Name: [5-hydroxy-4-[(5-iminopentylamino)methyl]-6-methyl-3-pyridyl]methyl dihydrogen phosphate Formula: C13H22N3O5P MolecularWeight: 331.304641

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CNCCCCC=N)COP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)CNCCCCC=N)COP(=O)(O)O

InChI

InChI=1S/C13H22N3O5P/c1-10-13(17)12(8-15-6-4-2-3-5-14)11(7-16-10)9-21-22(18,19)20/h5,7,14-15,17H,2-4,6,8-9H2,1H3,(H2,18,19,20)