2-[5-chloranyl-2-oxidanylidene-3-(pentan-3-ylamino)-6-phenyl-pyrazin-1-yl]ethanoic acid

Systemtic Name: 2-[5-chloranyl-2-oxidanylidene-3-(pentan-3-ylamino)-6-phenyl-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[5-chloro-3-(1-ethylpropylamino)-2-oxo-6-phenyl-pyrazin-1-yl]acetic acid CAS Name: 2-[5-chloro-2-oxo-3-(pentan-3-ylamino)-6-phenyl-1-pyrazinyl]acetic acid IUPAC Name: 2-[5-chloro-2-oxo-3-(pentan-3-ylamino)-6-phenylpyrazin-1-yl]acetic acid Traditional Name: 2-[5-chloro-3-(1-ethylpropylamino)-2-keto-6-phenyl-pyrazin-1-yl]acetic acid Formula: C17H20ClN3O3 MolecularWeight: 349.812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=NC(=C(N(C1=O)CC(=O)O)C2=CC=CC=C2)Cl

Isomeric SMILES

CCC(CC)NC1=NC(=C(N(C1=O)CC(=O)O)C2=CC=CC=C2)Cl

InChI

InChI=1S/C17H20ClN3O3/c1-3-12(4-2)19-16-17(24)21(10-13(22)23)14(15(18)20-16)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,19,20)(H,22,23)