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

Systemtic Name: 2-[[3-(3-bromophenyl)-5,6-dicyano-pyrazin-2-yl]amino]butanoic acid Openeye Name: 2-[[3-(3-bromophenyl)-5,6-dicyano-pyrazin-2-yl]amino]butanoic acid CAS Name: 2-[[3-(3-bromophenyl)-5,6-dicyano-2-pyrazinyl]amino]butanoic acid IUPAC Name: 2-[[3-(3-bromophenyl)-5,6-dicyanopyrazin-2-yl]amino]butanoic acid Traditional Name: 2-[[3-(3-bromophenyl)-5,6-dicyano-pyrazin-2-yl]amino]butyric acid Formula: C16H12BrN5O2 MolecularWeight: 386.20278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrN5O2/c1-2-11(16(23)24)21-15-14(9-4-3-5-10(17)6-9)20-12(7-18)13(8-19)22-15/h3-6,11H,2H2,1H3,(H,21,22)(H,23,24)