N-[(3-carbamimidoylphenyl)methyl]-2-[2-oxidanylidene-3-(phenethylamino)-6-phenyl-pyrazin-1-yl]ethanamide

Systemtic Name: N-[(3-carbamimidoylphenyl)methyl]-2-[2-oxidanylidene-3-(phenethylamino)-6-phenyl-pyrazin-1-yl]ethanamide Openeye Name: N-[(3-carbamimidoylphenyl)methyl]-2-[2-oxo-3-(phenethylamino)-6-phenyl-pyrazin-1-yl]acetamide CAS Name: N-[(3-carbamimidoylphenyl)methyl]-2-[2-oxo-3-(phenethylamino)-6-phenyl-1-pyrazinyl]acetamide IUPAC Name: N-[(3-carbamimidoylphenyl)methyl]-2-[2-oxo-3-(phenethylamino)-6-phenylpyrazin-1-yl]acetamide Traditional Name: N-(3-amidinobenzyl)-2-[2-keto-3-(phenethylamino)-6-phenyl-pyrazin-1-yl]acetamide Formula: C28H28N6O2 MolecularWeight: 480.56092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC=C(N(C2=O)CC(=O)NCC3=CC=CC(=C3)C(=N)N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC=C(N(C2=O)CC(=O)NCC3=CC=CC(=C3)C(=N)N)C4=CC=CC=C4

InChI

InChI=1S/C28H28N6O2/c29-26(30)23-13-7-10-21(16-23)17-32-25(35)19-34-24(22-11-5-2-6-12-22)18-33-27(28(34)36)31-15-14-20-8-3-1-4-9-20/h1-13,16,18H,14-15,17,19H2,(H3,29,30)(H,31,33)(H,32,35)