5-[(4-fluorophenyl)methyl]-2-methylsulfanyl-pyrrolo[2,3-b]pyrazine-6-carboxylic acid

Systemtic Name: 5-[(4-fluorophenyl)methyl]-2-methylsulfanyl-pyrrolo[2,3-b]pyrazine-6-carboxylic acid Openeye Name: 5-[(4-fluorophenyl)methyl]-2-methylsulfanyl-pyrrolo[2,3-b]pyrazine-6-carboxylic acid CAS Name: 5-[(4-fluorophenyl)methyl]-2-(methylthio)-6-pyrrolo[2,3-b]pyrazinecarboxylic acid IUPAC Name: 5-[(4-fluorophenyl)methyl]-2-methylsulfanylpyrrolo[2,3-b]pyrazine-6-carboxylic acid Traditional Name: 5-(4-fluorobenzyl)-2-(methylthio)pyrrolo[2,3-b]pyrazine-6-carboxylic acid Formula: C15H12FN3O2S MolecularWeight: 317.338083

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CN=C2C(=N1)C=C(N2CC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

CSC1=CN=C2C(=N1)C=C(N2CC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C15H12FN3O2S/c1-22-13-7-17-14-11(18-13)6-12(15(20)21)19(14)8-9-2-4-10(16)5-3-9/h2-7H,8H2,1H3,(H,20,21)