2-[3-chloranyl-5-(cyclobutylamino)-2-(3-hydroxyphenyl)-6-oxidanylidene-pyrazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-chloranyl-5-(cyclobutylamino)-2-(3-hydroxyphenyl)-6-oxidanylidene-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[3-chloro-5-(cyclobutylamino)-2-(3-hydroxyphenyl)-6-oxo-pyrazin-1-yl]acetic acid CAS Name: 2-[3-chloro-5-(cyclobutylamino)-2-(3-hydroxyphenyl)-6-oxo-1-pyrazinyl]acetic acid IUPAC Name: 2-[3-chloro-5-(cyclobutylamino)-2-(3-hydroxyphenyl)-6-oxopyrazin-1-yl]acetic acid Traditional Name: 2-[3-chloro-5-(cyclobutylamino)-2-(3-hydroxyphenyl)-6-keto-pyrazin-1-yl]acetic acid Formula: C16H16ClN3O4 MolecularWeight: 349.76894

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC2=NC(=C(N(C2=O)CC(=O)O)C3=CC(=CC=C3)O)Cl

Isomeric SMILES

C1CC(C1)NC2=NC(=C(N(C2=O)CC(=O)O)C3=CC(=CC=C3)O)Cl

InChI

InChI=1S/C16H16ClN3O4/c17-14-13(9-3-1-6-11(21)7-9)20(8-12(22)23)16(24)15(19-14)18-10-4-2-5-10/h1,3,6-7,10,21H,2,4-5,8H2,(H,18,19)(H,22,23)