[(2S)-1-(4-azanyl-2-oxidanylidene-1,3,5-triazin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-octadecoxy-phosphinic acid

Systemtic Name: [(2S)-1-(4-azanyl-2-oxidanylidene-1,3,5-triazin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-octadecoxy-phosphinic acid Openeye Name: [(1S)-1-[(4-amino-2-oxo-1,3,5-triazin-1-yl)methyl]-2-hydroxy-ethoxy]methyl-octadecoxy-phosphinic acid CAS Name: [(2S)-1-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-octadecoxyphosphinic acid IUPAC Name: [(2S)-1-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-octadecoxyphosphinic acid Traditional Name: [(1S)-1-[(4-amino-2-keto-s-triazin-1-yl)methyl]-2-hydroxy-ethoxy]methyl-stearyloxy-phosphinic acid Formula: C25H49N4O6P MolecularWeight: 532.653521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOP(=O)(COC(CN1C=NC(=NC1=O)N)CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOP(=O)(CO[C@@H](CN1C=NC(=NC1=O)N)CO)O

InChI

InChI=1S/C25H49N4O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35-36(32,33)22-34-23(20-30)19-29-21-27-24(26)28-25(29)31/h21,23,30H,2-20,22H2,1H3,(H,32,33)(H2,26,28,31)/t23-/m0/s1