2-[5-chloranyl-3-[(2-methyl-1-phenyl-propan-2-yl)amino]-2-oxidanylidene-pyrazin-1-yl]ethanoic acid

Systemtic Name: 2-[5-chloranyl-3-[(2-methyl-1-phenyl-propan-2-yl)amino]-2-oxidanylidene-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[5-chloro-3-[(1,1-dimethyl-2-phenyl-ethyl)amino]-2-oxo-pyrazin-1-yl]acetic acid CAS Name: 2-[5-chloro-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxo-1-pyrazinyl]acetic acid IUPAC Name: 2-[5-chloro-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]acetic acid Traditional Name: 2-[5-chloro-3-[(1,1-dimethyl-2-phenyl-ethyl)amino]-2-keto-pyrazin-1-yl]acetic acid Formula: C16H18ClN3O3 MolecularWeight: 335.78542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=CC=C1)NC2=NC(=CN(C2=O)CC(=O)O)Cl

Isomeric SMILES

CC(C)(CC1=CC=CC=C1)NC2=NC(=CN(C2=O)CC(=O)O)Cl

InChI

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