(1R,6S)-6-(pyrazin-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-6-(pyrazin-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-(pyrazin-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[oxo-(2-pyrazinylamino)methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-(pyrazin-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-(pyrazin-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=NC=CN=C2)C(=O)O

Isomeric SMILES

C1C=CC[C@H]([C@H]1C(=O)NC2=NC=CN=C2)C(=O)O

InChI

InChI=1S/C12H13N3O3/c16-11(15-10-7-13-5-6-14-10)8-3-1-2-4-9(8)12(17)18/h1-2,5-9H,3-4H2,(H,17,18)(H,14,15,16)/t8-,9+/m0/s1