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

Systemtic Name: 2-[2-(3-bromophenyl)-3-chloranyl-5-(cyclobutylamino)-6-oxidanylidene-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[2-(3-bromophenyl)-3-chloro-5-(cyclobutylamino)-6-oxo-pyrazin-1-yl]acetic acid CAS Name: 2-[2-(3-bromophenyl)-3-chloro-5-(cyclobutylamino)-6-oxo-1-pyrazinyl]acetic acid IUPAC Name: 2-[2-(3-bromophenyl)-3-chloro-5-(cyclobutylamino)-6-oxopyrazin-1-yl]acetic acid Traditional Name: 2-[2-(3-bromophenyl)-3-chloro-5-(cyclobutylamino)-6-keto-pyrazin-1-yl]acetic acid Formula: C16H15BrClN3O3 MolecularWeight: 412.6656

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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)Br)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrClN3O3/c17-10-4-1-3-9(7-10)13-14(18)20-15(19-11-5-2-6-11)16(24)21(13)8-12(22)23/h1,3-4,7,11H,2,5-6,8H2,(H,19,20)(H,22,23)