2-[[(2S)-1-azido-3-oxidanyl-propan-2-yl]oxymethyl]-6-phenyl-1,2,4-triazine-3,5-dione

Systemtic Name: 2-[[(2S)-1-azido-3-oxidanyl-propan-2-yl]oxymethyl]-6-phenyl-1,2,4-triazine-3,5-dione Openeye Name: 2-[[(1S)-1-(azidomethyl)-2-hydroxy-ethoxy]methyl]-6-phenyl-1,2,4-triazine-3,5-dione CAS Name: 2-[[(2S)-1-azido-3-hydroxypropan-2-yl]oxymethyl]-6-phenyl-1,2,4-triazine-3,5-dione IUPAC Name: 2-[[(2S)-1-azido-3-hydroxypropan-2-yl]oxymethyl]-6-phenyl-1,2,4-triazine-3,5-dione Traditional Name: 2-[[(1S)-1-(azidomethyl)-2-hydroxy-ethoxy]methyl]-6-phenyl-1,2,4-triazine-3,5-quinone Formula: C13H14N6O4 MolecularWeight: 318.28806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)NC2=O)COC(CN=[N+]=[N-])CO

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)NC2=O)CO[C@@H](CN=[N+]=[N-])CO

InChI

InChI=1S/C13H14N6O4/c14-18-15-6-10(7-20)23-8-19-13(22)16-12(21)11(17-19)9-4-2-1-3-5-9/h1-5,10,20H,6-8H2,(H,16,21,22)/t10-/m0/s1