[(2S)-1-(4-azanyl-2-butyl-6-oxidanylidene-1,3,5-triazin-1-yl)-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid

Systemtic Name: [(2S)-1-(4-azanyl-2-butyl-6-oxidanylidene-1,3,5-triazin-1-yl)-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1S)-1-[(4-amino-2-butyl-6-oxo-1,3,5-triazin-1-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid CAS Name: [(2S)-1-(4-amino-2-butyl-6-oxo-1,3,5-triazin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2S)-1-(4-amino-2-butyl-6-oxo-1,3,5-triazin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid Traditional Name: [(1S)-1-[(4-amino-2-butyl-6-keto-s-triazin-1-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid Formula: C11H21N4O6P MolecularWeight: 336.281401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NC(=O)N1CC(CO)OCP(=O)(O)O)N

Isomeric SMILES

CCCCC1=NC(=NC(=O)N1C[C@@H](CO)OCP(=O)(O)O)N

InChI

InChI=1S/C11H21N4O6P/c1-2-3-4-9-13-10(12)14-11(17)15(9)5-8(6-16)21-7-22(18,19)20/h8,16H,2-7H2,1H3,(H2,12,14,17)(H2,18,19,20)/t8-/m0/s1