2-[6-(3-azanyl-5-oxidanyl-phenyl)-3-(cyclopropylamino)-2-oxidanylidene-pyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide

Systemtic Name: 2-[6-(3-azanyl-5-oxidanyl-phenyl)-3-(cyclopropylamino)-2-oxidanylidene-pyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[6-(3-amino-5-hydroxy-phenyl)-3-(cyclopropylamino)-2-oxo-pyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[6-(3-amino-5-hydroxyphenyl)-3-(cyclopropylamino)-2-oxo-1-pyrazinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[6-(3-amino-5-hydroxyphenyl)-3-(cyclopropylamino)-2-oxopyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[6-(3-amino-5-hydroxy-phenyl)-3-(cyclopropylamino)-2-keto-pyrazin-1-yl]acetamide Formula: C23H25N7O3 MolecularWeight: 447.4897

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC=C(N(C2=O)CC(=O)NCC3=CC=C(C=C3)C(=N)N)C4=CC(=CC(=C4)O)N

Isomeric SMILES

C1CC1NC2=NC=C(N(C2=O)CC(=O)NCC3=CC=C(C=C3)C(=N)N)C4=CC(=CC(=C4)O)N

InChI

InChI=1S/C23H25N7O3/c24-16-7-15(8-18(31)9-16)19-11-28-22(29-17-5-6-17)23(33)30(19)12-20(32)27-10-13-1-3-14(4-2-13)21(25)26/h1-4,7-9,11,17,31H,5-6,10,12,24H2,(H3,25,26)(H,27,32)(H,28,29)