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

Systemtic Name: 2-[5-chloranyl-2-oxidanylidene-3-(phenethylamino)-6-(phenylmethyl)pyrazin-1-yl]ethanoic acid Openeye Name: 2-[2-benzyl-3-chloro-6-oxo-5-(phenethylamino)pyrazin-1-yl]acetic acid CAS Name: 2-[5-chloro-2-oxo-3-(phenethylamino)-6-(phenylmethyl)-1-pyrazinyl]acetic acid IUPAC Name: 2-[2-benzyl-3-chloro-6-oxo-5-(phenethylamino)pyrazin-1-yl]acetic acid Traditional Name: 2-[2-benzyl-3-chloro-6-keto-5-(phenethylamino)pyrazin-1-yl]acetic acid Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC(=C(N(C2=O)CC(=O)O)CC3=CC=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=C(N(C2=O)CC(=O)O)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H20ClN3O3/c22-19-17(13-16-9-5-2-6-10-16)25(14-18(26)27)21(28)20(24-19)23-12-11-15-7-3-1-4-8-15/h1-10H,11-14H2,(H,23,24)(H,26,27)