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

Systemtic Name: 2-[5-chloranyl-2-oxidanylidene-6-phenyl-3-(prop-2-ynylamino)pyrazin-1-yl]ethanoic acid Openeye Name: 2-[5-chloro-2-oxo-6-phenyl-3-(prop-2-ynylamino)pyrazin-1-yl]acetic acid CAS Name: 2-[5-chloro-2-oxo-6-phenyl-3-(prop-2-ynylamino)-1-pyrazinyl]acetic acid IUPAC Name: 2-[5-chloro-2-oxo-6-phenyl-3-(prop-2-ynylamino)pyrazin-1-yl]acetic acid Traditional Name: 2-[5-chloro-2-keto-6-phenyl-3-(propargylamino)pyrazin-1-yl]acetic acid Formula: C15H12ClN3O3 MolecularWeight: 317.72708

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=NC(=C(N(C1=O)CC(=O)O)C2=CC=CC=C2)Cl

Isomeric SMILES

C#CCNC1=NC(=C(N(C1=O)CC(=O)O)C2=CC=CC=C2)Cl

InChI

InChI=1S/C15H12ClN3O3/c1-2-8-17-14-15(22)19(9-11(20)21)12(13(16)18-14)10-6-4-3-5-7-10/h1,3-7H,8-9H2,(H,17,18)(H,20,21)