2-(pyrazin-2-ylmethylsulfanyl)propanoic acid

Systemtic Name: 2-(pyrazin-2-ylmethylsulfanyl)propanoic acid Openeye Name: 2-(pyrazin-2-ylmethylsulfanyl)propanoic acid CAS Name: 2-(2-pyrazinylmethylthio)propanoic acid IUPAC Name: 2-(pyrazin-2-ylmethylsulfanyl)propanoic acid Traditional Name: 2-(pyrazin-2-ylmethylthio)propionic acid Formula: C8H10N2O2S MolecularWeight: 198.2422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=NC=CN=C1

Isomeric SMILES

CC(C(=O)O)SCC1=NC=CN=C1

InChI

InChI=1S/C8H10N2O2S/c1-6(8(11)12)13-5-7-4-9-2-3-10-7/h2-4,6H,5H2,1H3,(H,11,12)