2-[5-chloranyl-3-(cyclobutylamino)-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoic acid

Systemtic Name: 2-[5-chloranyl-3-(cyclobutylamino)-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[5-chloro-3-(cyclobutylamino)-2-oxo-6-phenyl-pyrazin-1-yl]acetic acid CAS Name: 2-[5-chloro-3-(cyclobutylamino)-2-oxo-6-phenyl-1-pyrazinyl]acetic acid IUPAC Name: 2-[5-chloro-3-(cyclobutylamino)-2-oxo-6-phenylpyrazin-1-yl]acetic acid Traditional Name: 2-[5-chloro-3-(cyclobutylamino)-2-keto-6-phenyl-pyrazin-1-yl]acetic acid Formula: C16H16ClN3O3 MolecularWeight: 333.76954

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC2=NC(=C(N(C2=O)CC(=O)O)C3=CC=CC=C3)Cl

Isomeric SMILES

C1CC(C1)NC2=NC(=C(N(C2=O)CC(=O)O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C16H16ClN3O3/c17-14-13(10-5-2-1-3-6-10)20(9-12(21)22)16(23)15(19-14)18-11-7-4-8-11/h1-3,5-6,11H,4,7-9H2,(H,18,19)(H,21,22)