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

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloranyl-3-(2-hydroxyethylamino)-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-(2-hydroxyethylamino)-2-oxo-6-phenyl-pyrazin-1-yl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-(2-hydroxyethylamino)-2-oxo-6-phenyl-1-pyrazinyl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-(2-hydroxyethylamino)-2-oxo-6-phenylpyrazin-1-yl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[5-chloro-3-(2-hydroxyethylamino)-2-keto-6-phenyl-pyrazin-1-yl]acetamide Formula: C22H23ClN6O3 MolecularWeight: 454.90942

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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)NCCO)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN6O3/c23-19-18(15-4-2-1-3-5-15)29(22(32)21(28-19)26-10-11-30)13-17(31)27-12-14-6-8-16(9-7-14)20(24)25/h1-9,30H,10-13H2,(H3,24,25)(H,26,28)(H,27,31)