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

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloranyl-3-(6-oxidanylhexylamino)-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-(6-hydroxyhexylamino)-2-oxo-6-phenyl-pyrazin-1-yl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-(6-hydroxyhexylamino)-2-oxo-6-phenyl-1-pyrazinyl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-(6-hydroxyhexylamino)-2-oxo-6-phenylpyrazin-1-yl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[5-chloro-3-(6-hydroxyhexylamino)-2-keto-6-phenyl-pyrazin-1-yl]acetamide Formula: C26H31ClN6O3 MolecularWeight: 511.01574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(C(=O)N2CC(=O)NCC3=CC=C(C=C3)C(=N)N)NCCCCCCO)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(C(=O)N2CC(=O)NCC3=CC=C(C=C3)C(=N)N)NCCCCCCO)Cl

InChI

InChI=1S/C26H31ClN6O3/c27-23-22(19-8-4-3-5-9-19)33(26(36)25(32-23)30-14-6-1-2-7-15-34)17-21(35)31-16-18-10-12-20(13-11-18)24(28)29/h3-5,8-13,34H,1-2,6-7,14-17H2,(H3,28,29)(H,30,32)(H,31,35)