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

Systemtic Name: 2-[3-chloranyl-2-ethyl-6-oxidanylidene-5-(phenethylamino)pyrazin-1-yl]ethanoic acid Openeye Name: 2-[3-chloro-2-ethyl-6-oxo-5-(phenethylamino)pyrazin-1-yl]acetic acid CAS Name: 2-[3-chloro-2-ethyl-6-oxo-5-(phenethylamino)-1-pyrazinyl]acetic acid IUPAC Name: 2-[3-chloro-2-ethyl-6-oxo-5-(phenethylamino)pyrazin-1-yl]acetic acid Traditional Name: 2-[3-chloro-2-ethyl-6-keto-5-(phenethylamino)pyrazin-1-yl]acetic acid Formula: C16H18ClN3O3 MolecularWeight: 335.78542

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(C(=O)N1CC(=O)O)NCCC2=CC=CC=C2)Cl

Isomeric SMILES

CCC1=C(N=C(C(=O)N1CC(=O)O)NCCC2=CC=CC=C2)Cl

InChI

InChI=1S/C16H18ClN3O3/c1-2-12-14(17)19-15(16(23)20(12)10-13(21)22)18-9-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,18,19)(H,21,22)