2-[5-(methylsulfanylmethyl)furan-2-yl]-2-(pyrazin-2-ylamino)ethanoic acid

Systemtic Name: 2-[5-(methylsulfanylmethyl)furan-2-yl]-2-(pyrazin-2-ylamino)ethanoic acid Openeye Name: 2-[5-(methylsulfanylmethyl)-2-furyl]-2-(pyrazin-2-ylamino)acetic acid CAS Name: 2-[5-[(methylthio)methyl]-2-furanyl]-2-(2-pyrazinylamino)acetic acid IUPAC Name: 2-[5-(methylsulfanylmethyl)furan-2-yl]-2-(pyrazin-2-ylamino)acetic acid Traditional Name: 2-[5-[(methylthio)methyl]-2-furyl]-2-(pyrazin-2-ylamino)acetic acid Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(O1)C(C(=O)O)NC2=NC=CN=C2

Isomeric SMILES

CSCC1=CC=C(O1)C(C(=O)O)NC2=NC=CN=C2

InChI

InChI=1S/C12H13N3O3S/c1-19-7-8-2-3-9(18-8)11(12(16)17)15-10-6-13-4-5-14-10/h2-6,11H,7H2,1H3,(H,14,15)(H,16,17)