2-[2-(3-aminophenyl)-3-bromanyl-6-oxidanylidene-5-(propan-2-ylamino)pyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide

Systemtic Name: 2-[2-(3-aminophenyl)-3-bromanyl-6-oxidanylidene-5-(propan-2-ylamino)pyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[2-(3-aminophenyl)-3-bromo-5-(isopropylamino)-6-oxo-pyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[2-(3-aminophenyl)-3-bromo-6-oxo-5-(propan-2-ylamino)-1-pyrazinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[2-(3-aminophenyl)-3-bromo-6-oxo-5-(propan-2-ylamino)pyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[2-(3-aminophenyl)-3-bromo-5-(isopropylamino)-6-keto-pyrazin-1-yl]acetamide Formula: C23H26BrN7O2 MolecularWeight: 512.40224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC(=C(N(C1=O)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CC(=CC=C3)N)Br

Isomeric SMILES

CC(C)NC1=NC(=C(N(C1=O)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CC(=CC=C3)N)Br

InChI

InChI=1S/C23H26BrN7O2/c1-13(2)29-22-23(33)31(19(20(24)30-22)16-4-3-5-17(25)10-16)12-18(32)28-11-14-6-8-15(9-7-14)21(26)27/h3-10,13H,11-12,25H2,1-2H3,(H3,26,27)(H,28,32)(H,29,30)