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

Systemtic Name: N-[(6-carbamimidoylpyridin-3-yl)methyl]-2-[2-oxidanylidene-3-(phenethylamino)-6-phenyl-pyrazin-1-yl]ethanamide Openeye Name: N-[(6-carbamimidoyl-3-pyridyl)methyl]-2-[2-oxo-3-(phenethylamino)-6-phenyl-pyrazin-1-yl]acetamide CAS Name: N-[(6-carbamimidoyl-3-pyridinyl)methyl]-2-[2-oxo-3-(phenethylamino)-6-phenyl-1-pyrazinyl]acetamide IUPAC Name: N-[(6-carbamimidoylpyridin-3-yl)methyl]-2-[2-oxo-3-(phenethylamino)-6-phenylpyrazin-1-yl]acetamide Traditional Name: N-[(6-amidino-3-pyridyl)methyl]-2-[2-keto-3-(phenethylamino)-6-phenyl-pyrazin-1-yl]acetamide Formula: C27H27N7O2 MolecularWeight: 481.54898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N7O2/c28-25(29)22-12-11-20(15-31-22)16-32-24(35)18-34-23(21-9-5-2-6-10-21)17-33-26(27(34)36)30-14-13-19-7-3-1-4-8-19/h1-12,15,17H,13-14,16,18H2,(H3,28,29)(H,30,33)(H,32,35)