3-azanyl-5-(phenylmethylsulfanyl)pyrazine-2-carboxylic acid

Systemtic Name: 3-azanyl-5-(phenylmethylsulfanyl)pyrazine-2-carboxylic acid Openeye Name: 3-amino-5-benzylsulfanyl-pyrazine-2-carboxylic acid CAS Name: 3-amino-5-(phenylmethylthio)-2-pyrazinecarboxylic acid IUPAC Name: 3-amino-5-benzylsulfanylpyrazine-2-carboxylic acid Traditional Name: 3-amino-5-(benzylthio)pyrazinoic acid Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CN=C(C(=N2)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CN=C(C(=N2)N)C(=O)O

InChI

InChI=1S/C12H11N3O2S/c13-11-10(12(16)17)14-6-9(15-11)18-7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,15)(H,16,17)