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

Systemtic Name: 2-[6-(3-azanyl-5-butoxy-phenyl)-3-(cyclopropylamino)-2-oxidanylidene-pyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[6-(3-amino-5-butoxy-phenyl)-3-(cyclopropylamino)-2-oxo-pyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[6-(3-amino-5-butoxyphenyl)-3-(cyclopropylamino)-2-oxo-1-pyrazinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[6-(3-amino-5-butoxyphenyl)-3-(cyclopropylamino)-2-oxopyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[6-(3-amino-5-butoxy-phenyl)-3-(cyclopropylamino)-2-keto-pyrazin-1-yl]acetamide Formula: C27H33N7O3 MolecularWeight: 503.59602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC(=C1)N)C2=CN=C(C(=O)N2CC(=O)NCC3=CC=C(C=C3)C(=N)N)NC4CC4

Isomeric SMILES

CCCCOC1=CC(=CC(=C1)N)C2=CN=C(C(=O)N2CC(=O)NCC3=CC=C(C=C3)C(=N)N)NC4CC4

InChI

InChI=1S/C27H33N7O3/c1-2-3-10-37-22-12-19(11-20(28)13-22)23-15-32-26(33-21-8-9-21)27(36)34(23)16-24(35)31-14-17-4-6-18(7-5-17)25(29)30/h4-7,11-13,15,21H,2-3,8-10,14,16,28H2,1H3,(H3,29,30)(H,31,35)(H,32,33)