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

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloranyl-3-(4-oxidanylbutylamino)-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-(4-hydroxybutylamino)-2-oxo-6-phenyl-pyrazin-1-yl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-(4-hydroxybutylamino)-2-oxo-6-phenyl-1-pyrazinyl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-(4-hydroxybutylamino)-2-oxo-6-phenylpyrazin-1-yl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[5-chloro-3-(4-hydroxybutylamino)-2-keto-6-phenyl-pyrazin-1-yl]acetamide Formula: C24H27ClN6O3 MolecularWeight: 482.96258

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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)NCCCCO)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H27ClN6O3/c25-21-20(17-6-2-1-3-7-17)31(24(34)23(30-21)28-12-4-5-13-32)15-19(33)29-14-16-8-10-18(11-9-16)22(26)27/h1-3,6-11,32H,4-5,12-15H2,(H3,26,27)(H,28,30)(H,29,33)