4-azanyl-1-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-1,3,5-triazin-2-one

Systemtic Name: 4-azanyl-1-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-1,3,5-triazin-2-one Openeye Name: 4-amino-1-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-1,3,5-triazin-2-one CAS Name: 4-amino-1-(1,3-dihydroxypropan-2-yloxymethyl)-1,3,5-triazin-2-one IUPAC Name: 4-amino-1-(1,3-dihydroxypropan-2-yloxymethyl)-1,3,5-triazin-2-one Traditional Name: 4-amino-1-[(2-hydroxy-1-methylol-ethoxy)methyl]-s-triazin-2-one Formula: C7H12N4O4 MolecularWeight: 216.19458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=NC(=O)N1COC(CO)CO)N

Isomeric SMILES

C1=NC(=NC(=O)N1COC(CO)CO)N

InChI

InChI=1S/C7H12N4O4/c8-6-9-3-11(7(14)10-6)4-15-5(1-12)2-13/h3,5,12-13H,1-2,4H2,(H2,8,10,14)