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

Systemtic Name: 2-[(1-azido-3-oxidanyl-propan-2-yl)oxymethyl]-6-(phenylmethyl)-1,2,4-triazine-3,5-dione Openeye Name: 2-[[1-(azidomethyl)-2-hydroxy-ethoxy]methyl]-6-benzyl-1,2,4-triazine-3,5-dione CAS Name: 2-[(1-azido-3-hydroxypropan-2-yl)oxymethyl]-6-(phenylmethyl)-1,2,4-triazine-3,5-dione IUPAC Name: 2-[(1-azido-3-hydroxypropan-2-yl)oxymethyl]-6-benzyl-1,2,4-triazine-3,5-dione Traditional Name: 2-[[1-(azidomethyl)-2-hydroxy-ethoxy]methyl]-6-benzyl-1,2,4-triazine-3,5-quinone Formula: C14H16N6O4 MolecularWeight: 332.31464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN(C(=O)NC2=O)COC(CN=[N+]=[N-])CO

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN(C(=O)NC2=O)COC(CN=[N+]=[N-])CO

InChI

InChI=1S/C14H16N6O4/c15-19-16-7-11(8-21)24-9-20-14(23)17-13(22)12(18-20)6-10-4-2-1-3-5-10/h1-5,11,21H,6-9H2,(H,17,22,23)