2-[3-(4-azanylbutylamino)-5-chloranyl-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-(4-azanylbutylamino)-5-chloranyl-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutylamino)-5-chloro-2-oxo-6-phenyl-pyrazin-1-yl]acetic acid CAS Name: 2-[3-(4-aminobutylamino)-5-chloro-2-oxo-6-phenyl-1-pyrazinyl]acetic acid IUPAC Name: 2-[3-(4-aminobutylamino)-5-chloro-2-oxo-6-phenylpyrazin-1-yl]acetic acid Traditional Name: 2-[3-(4-aminobutylamino)-5-chloro-2-keto-6-phenyl-pyrazin-1-yl]acetic acid Formula: C16H19ClN4O3 MolecularWeight: 350.80006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN4O3/c17-14-13(11-6-2-1-3-7-11)21(10-12(22)23)16(24)15(20-14)19-9-5-4-8-18/h1-3,6-7H,4-5,8-10,18H2,(H,19,20)(H,22,23)