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

Systemtic Name: 2-[6-(3-azanyl-5-oxidanyl-phenyl)-2-oxidanylidene-3-(propan-2-ylamino)pyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[6-(3-amino-5-hydroxy-phenyl)-3-(isopropylamino)-2-oxo-pyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[6-(3-amino-5-hydroxyphenyl)-2-oxo-3-(propan-2-ylamino)-1-pyrazinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[6-(3-amino-5-hydroxyphenyl)-2-oxo-3-(propan-2-ylamino)pyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[6-(3-amino-5-hydroxy-phenyl)-3-(isopropylamino)-2-keto-pyrazin-1-yl]acetamide Formula: C23H27N7O3 MolecularWeight: 449.50558

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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)O)N

Isomeric SMILES

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

InChI

InChI=1S/C23H27N7O3/c1-13(2)29-22-23(33)30(19(11-28-22)16-7-17(24)9-18(31)8-16)12-20(32)27-10-14-3-5-15(6-4-14)21(25)26/h3-9,11,13,31H,10,12,24H2,1-2H3,(H3,25,26)(H,27,32)(H,28,29)