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

Systemtic Name: 2-[3-(3-azanylpropylamino)-5-chloranyl-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[3-(3-aminopropylamino)-5-chloro-2-oxo-6-phenyl-pyrazin-1-yl]acetic acid CAS Name: 2-[3-(3-aminopropylamino)-5-chloro-2-oxo-6-phenyl-1-pyrazinyl]acetic acid IUPAC Name: 2-[3-(3-aminopropylamino)-5-chloro-2-oxo-6-phenylpyrazin-1-yl]acetic acid Traditional Name: 2-[3-(3-aminopropylamino)-5-chloro-2-keto-6-phenyl-pyrazin-1-yl]acetic acid Formula: C15H17ClN4O3 MolecularWeight: 336.77348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(C(=O)N2CC(=O)O)NCCCN)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(C(=O)N2CC(=O)O)NCCCN)Cl

InChI

InChI=1S/C15H17ClN4O3/c16-13-12(10-5-2-1-3-6-10)20(9-11(21)22)15(23)14(19-13)18-8-4-7-17/h1-3,5-6H,4,7-9,17H2,(H,18,19)(H,21,22)