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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O3/c1-3-7-11(2)19-16-17(24)21(10-13(22)23)14(15(18)20-16)12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3,(H,19,20)(H,22,23)