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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCC2=CN=C(C(=N2)C#N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCC2=CN=C(C(=N2)C#N)N

InChI

InChI=1S/C13H11N5O2/c14-5-11-12(15)17-7-10(18-11)6-16-9-3-1-8(2-4-9)13(19)20/h1-4,7,16H,6H2,(H2,15,17)(H,19,20)