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

Systemtic Name: 4-[(5-azanyl-6-cyano-pyrazin-2-yl)-methyl-amino]benzoic acid Openeye Name: 4-[(5-amino-6-cyano-pyrazin-2-yl)-methyl-amino]benzoic acid CAS Name: 4-[(5-amino-6-cyano-2-pyrazinyl)-methylamino]benzoic acid IUPAC Name: 4-[(5-amino-6-cyanopyrazin-2-yl)-methylamino]benzoic acid Traditional Name: 4-[(5-amino-6-cyano-pyrazin-2-yl)-methyl-amino]benzoic acid Formula: C13H11N5O2 MolecularWeight: 269.25874

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)O)C2=CN=C(C(=N2)C#N)N

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)O)C2=CN=C(C(=N2)C#N)N

InChI

InChI=1S/C13H11N5O2/c1-18(9-4-2-8(3-5-9)13(19)20)11-7-16-12(15)10(6-14)17-11/h2-5,7H,1H3,(H2,15,16)(H,19,20)