3-[(4-azanyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanyl]propanoic acid

Systemtic Name: 3-[(4-azanyl-5-oxidanylidene-1,2,4-triazin-3-yl)sulfanyl]propanoic acid Openeye Name: 3-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]propanoic acid CAS Name: 3-[(4-amino-5-oxo-1,2,4-triazin-3-yl)thio]propanoic acid IUPAC Name: 3-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]propanoic acid Traditional Name: 3-[(4-amino-5-keto-1,2,4-triazin-3-yl)thio]propionic acid Formula: C6H8N4O3S MolecularWeight: 216.21772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NN=C(N(C1=O)N)SCCC(=O)O

Isomeric SMILES

C1=NN=C(N(C1=O)N)SCCC(=O)O

InChI

InChI=1S/C6H8N4O3S/c7-10-4(11)3-8-9-6(10)14-2-1-5(12)13/h3H,1-2,7H2,(H,12,13)