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

Systemtic Name: [(2S)-1-(4-azanyl-2-oxidanylidene-6-phenyl-1,3,5-triazin-1-yl)-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1S)-1-[(4-amino-2-oxo-6-phenyl-1,3,5-triazin-1-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid CAS Name: [(2S)-1-(4-amino-2-oxo-6-phenyl-1,3,5-triazin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2S)-1-(4-amino-2-oxo-6-phenyl-1,3,5-triazin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid Traditional Name: [(1S)-1-[(4-amino-2-keto-6-phenyl-s-triazin-1-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid Formula: C13H17N4O6P MolecularWeight: 356.271041

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NC(=O)N2CC(CO)OCP(=O)(O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NC(=O)N2C[C@@H](CO)OCP(=O)(O)O)N

InChI

InChI=1S/C13H17N4O6P/c14-12-15-11(9-4-2-1-3-5-9)17(13(19)16-12)6-10(7-18)23-8-24(20,21)22/h1-5,10,18H,6-8H2,(H2,14,16,19)(H2,20,21,22)/t10-/m0/s1