N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloranyl-2-oxidanylidene-3-(phenethylamino)-6-phenyl-pyrazin-1-yl]ethanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloranyl-2-oxidanylidene-3-(phenethylamino)-6-phenyl-pyrazin-1-yl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-2-oxo-3-(phenethylamino)-6-phenyl-pyrazin-1-yl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-2-oxo-3-(phenethylamino)-6-phenyl-1-pyrazinyl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-2-oxo-3-(phenethylamino)-6-phenylpyrazin-1-yl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[5-chloro-2-keto-3-(phenethylamino)-6-phenyl-pyrazin-1-yl]acetamide Formula: C28H27ClN6O2 MolecularWeight: 515.00598

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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=C(C=C3)C(=N)N)C4=CC=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H27ClN6O2/c29-25-24(21-9-5-2-6-10-21)35(18-23(36)33-17-20-11-13-22(14-12-20)26(30)31)28(37)27(34-25)32-16-15-19-7-3-1-4-8-19/h1-14H,15-18H2,(H3,30,31)(H,32,34)(H,33,36)