[6-methyl-5-oxidanylidene-4-[[(4-oxidanyl-4-oxidanylidene-butyl)amino]methylidene]pyridin-3-yl]methyl hydrogen phosphate

Systemtic Name: [6-methyl-5-oxidanylidene-4-[[(4-oxidanyl-4-oxidanylidene-butyl)amino]methylidene]pyridin-3-yl]methyl hydrogen phosphate Openeye Name: [4-[[(4-hydroxy-4-oxo-butyl)amino]methylene]-6-methyl-5-oxo-3-pyridyl]methyl hydrogen phosphate CAS Name: [4-[[(4-hydroxy-4-oxobutyl)amino]methylidene]-6-methyl-5-oxo-3-pyridinyl]methyl hydrogen phosphate IUPAC Name: [4-[[(4-hydroxy-4-oxobutyl)amino]methylidene]-6-methyl-5-oxopyridin-3-yl]methyl hydrogen phosphate Traditional Name: [4-[[(4-hydroxy-4-keto-butyl)amino]methylene]-5-keto-6-methyl-3-pyridyl]methyl hydrogen phosphate Formula: C12H16N2O7P- MolecularWeight: 331.238401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNCCCC(=O)O)C1=O)COP(=O)(O)[O-]

Isomeric SMILES

CC1=NC=C(C(=CNCCCC(=O)O)C1=O)COP(=O)(O)[O-]

InChI

InChI=1S/C12H17N2O7P/c1-8-12(17)10(6-13-4-2-3-11(15)16)9(5-14-8)7-21-22(18,19)20/h5-6,13H,2-4,7H2,1H3,(H,15,16)(H2,18,19,20)/p-1