[(4E)-4-[(3-azanylbutoxyamino)methylidene]-6-methyl-5-oxidanylidene-pyridin-3-yl]methyl dihydrogen phosphate

Systemtic Name: [(4E)-4-[(3-azanylbutoxyamino)methylidene]-6-methyl-5-oxidanylidene-pyridin-3-yl]methyl dihydrogen phosphate Openeye Name: [(4E)-4-[(3-aminobutoxyamino)methylene]-6-methyl-5-oxo-3-pyridyl]methyl dihydrogen phosphate CAS Name: [(4E)-4-[(3-aminobutoxyamino)methylidene]-6-methyl-5-oxo-3-pyridinyl]methyl dihydrogen phosphate IUPAC Name: [(4E)-4-[(3-aminobutoxyamino)methylidene]-6-methyl-5-oxopyridin-3-yl]methyl dihydrogen phosphate Traditional Name: [(4E)-4-[(3-aminobutoxyamino)methylene]-5-keto-6-methyl-3-pyridyl]methyl dihydrogen phosphate Formula: C12H20N3O6P MolecularWeight: 333.277461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNOCCC(C)N)C1=O)COP(=O)(O)O

Isomeric SMILES

CC1=NC=C(/C(=C\NOCCC(C)N)/C1=O)COP(=O)(O)O

InChI

InChI=1S/C12H20N3O6P/c1-8(13)3-4-20-15-6-11-10(7-21-22(17,18)19)5-14-9(2)12(11)16/h5-6,8,15H,3-4,7,13H2,1-2H3,(H2,17,18,19)/b11-6+