2-[3-chloranyl-2-methyl-5-[(4-methylphenyl)methylamino]-6-oxidanylidene-pyrazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-chloranyl-2-methyl-5-[(4-methylphenyl)methylamino]-6-oxidanylidene-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[3-chloro-2-methyl-6-oxo-5-(p-tolylmethylamino)pyrazin-1-yl]acetic acid CAS Name: 2-[3-chloro-2-methyl-5-[(4-methylphenyl)methylamino]-6-oxo-1-pyrazinyl]acetic acid IUPAC Name: 2-[3-chloro-2-methyl-5-[(4-methylphenyl)methylamino]-6-oxopyrazin-1-yl]acetic acid Traditional Name: 2-[5-chloro-2-keto-6-methyl-3-[(4-methylbenzyl)amino]pyrazin-1-yl]acetic acid Formula: C15H16ClN3O3 MolecularWeight: 321.75884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=C(N(C2=O)CC(=O)O)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=C(N(C2=O)CC(=O)O)C)Cl

InChI

InChI=1S/C15H16ClN3O3/c1-9-3-5-11(6-4-9)7-17-14-15(22)19(8-12(20)21)10(2)13(16)18-14/h3-6H,7-8H2,1-2H3,(H,17,18)(H,20,21)