2-[(5,6-dicyano-3-phenyl-pyrazin-2-yl)amino]butanoic acid

Systemtic Name: 2-[(5,6-dicyano-3-phenyl-pyrazin-2-yl)amino]butanoic acid Openeye Name: 2-[(5,6-dicyano-3-phenyl-pyrazin-2-yl)amino]butanoic acid CAS Name: 2-[(5,6-dicyano-3-phenyl-2-pyrazinyl)amino]butanoic acid IUPAC Name: 2-[(5,6-dicyano-3-phenylpyrazin-2-yl)amino]butanoic acid Traditional Name: 2-[(5,6-dicyano-3-phenyl-pyrazin-2-yl)amino]butyric acid Formula: C16H13N5O2 MolecularWeight: 307.30672

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC1=NC(=C(N=C1C2=CC=CC=C2)C#N)C#N

Isomeric SMILES

CCC(C(=O)O)NC1=NC(=C(N=C1C2=CC=CC=C2)C#N)C#N

InChI

InChI=1S/C16H13N5O2/c1-2-11(16(22)23)20-15-14(10-6-4-3-5-7-10)19-12(8-17)13(9-18)21-15/h3-7,11H,2H2,1H3,(H,20,21)(H,22,23)