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

Systemtic Name: 2-[6-(3-azanyl-5-butoxy-phenyl)-2-oxidanylidene-3-(propan-2-ylamino)pyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[6-(3-amino-5-butoxy-phenyl)-3-(isopropylamino)-2-oxo-pyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[6-(3-amino-5-butoxyphenyl)-2-oxo-3-(propan-2-ylamino)-1-pyrazinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[6-(3-amino-5-butoxyphenyl)-2-oxo-3-(propan-2-ylamino)pyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[6-(3-amino-5-butoxy-phenyl)-3-(isopropylamino)-2-keto-pyrazin-1-yl]acetamide Formula: C27H35N7O3 MolecularWeight: 505.6119

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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)NC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H35N7O3/c1-4-5-10-37-22-12-20(11-21(28)13-22)23-15-32-26(33-17(2)3)27(36)34(23)16-24(35)31-14-18-6-8-19(9-7-18)25(29)30/h6-9,11-13,15,17H,4-5,10,14,16,28H2,1-3H3,(H3,29,30)(H,31,35)(H,32,33)