4-[(6-cyano-5-methyl-pyrazin-2-yl)methylamino]benzoic acid

Systemtic Name: 4-[(6-cyano-5-methyl-pyrazin-2-yl)methylamino]benzoic acid Openeye Name: 4-[(6-cyano-5-methyl-pyrazin-2-yl)methylamino]benzoic acid CAS Name: 4-[(6-cyano-5-methyl-2-pyrazinyl)methylamino]benzoic acid IUPAC Name: 4-[(6-cyano-5-methylpyrazin-2-yl)methylamino]benzoic acid Traditional Name: 4-[(6-cyano-5-methyl-pyrazin-2-yl)methylamino]benzoic acid Formula: C14H12N4O2 MolecularWeight: 268.27068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1C#N)CNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NC=C(N=C1C#N)CNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H12N4O2/c1-9-13(6-15)18-12(7-16-9)8-17-11-4-2-10(3-5-11)14(19)20/h2-5,7,17H,8H2,1H3,(H,19,20)