3-(4-azanyl-5-oxidanylidene-3-propylsulfanyl-1,2,4-triazin-6-yl)propanoic acid

Systemtic Name: 3-(4-azanyl-5-oxidanylidene-3-propylsulfanyl-1,2,4-triazin-6-yl)propanoic acid Openeye Name: 3-(4-amino-5-oxo-3-propylsulfanyl-1,2,4-triazin-6-yl)propanoic acid CAS Name: 3-[4-amino-5-oxo-3-(propylthio)-1,2,4-triazin-6-yl]propanoic acid IUPAC Name: 3-(4-amino-5-oxo-3-propylsulfanyl-1,2,4-triazin-6-yl)propanoic acid Traditional Name: 3-[4-amino-5-keto-3-(propylthio)-1,2,4-triazin-6-yl]propionic acid Formula: C9H14N4O3S MolecularWeight: 258.29746

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(C(=O)N1N)CCC(=O)O

Isomeric SMILES

CCCSC1=NN=C(C(=O)N1N)CCC(=O)O

InChI

InChI=1S/C9H14N4O3S/c1-2-5-17-9-12-11-6(3-4-7(14)15)8(16)13(9)10/h2-5,10H2,1H3,(H,14,15)