3-[[5-oxidanylidene-6-(3-oxidanylidene-3-propan-2-yloxy-propyl)-2H-1,2,4-triazin-3-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[5-oxidanylidene-6-(3-oxidanylidene-3-propan-2-yloxy-propyl)-2H-1,2,4-triazin-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[6-(3-isopropoxy-3-oxo-propyl)-5-oxo-2H-1,2,4-triazin-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-oxo-6-(3-oxo-3-propan-2-yloxypropyl)-2H-1,2,4-triazin-3-yl]thio]propanoic acid IUPAC Name: 3-[[5-oxo-6-(3-oxo-3-propan-2-yloxypropyl)-2H-1,2,4-triazin-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[6-(3-isopropoxy-3-keto-propyl)-5-keto-2H-1,2,4-triazin-3-yl]thio]propionic acid Formula: C12H17N3O5S MolecularWeight: 315.34548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCC1=NNC(=NC1=O)SCCC(=O)O

Isomeric SMILES

CC(C)OC(=O)CCC1=NNC(=NC1=O)SCCC(=O)O

InChI

InChI=1S/C12H17N3O5S/c1-7(2)20-10(18)4-3-8-11(19)13-12(15-14-8)21-6-5-9(16)17/h7H,3-6H2,1-2H3,(H,16,17)(H,13,15,19)