2-[4-(3-azanyl-5-oxidanyl-phenyl)-1-(cyclobutylamino)-2-oxidanylidene-pyridin-3-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide

Systemtic Name: 2-[4-(3-azanyl-5-oxidanyl-phenyl)-1-(cyclobutylamino)-2-oxidanylidene-pyridin-3-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[4-(3-amino-5-hydroxy-phenyl)-1-(cyclobutylamino)-2-oxo-3-pyridyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[4-(3-amino-5-hydroxyphenyl)-1-(cyclobutylamino)-2-oxo-3-pyridinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[4-(3-amino-5-hydroxyphenyl)-1-(cyclobutylamino)-2-oxopyridin-3-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[4-(3-amino-5-hydroxy-phenyl)-1-(cyclobutylamino)-2-keto-3-pyridyl]acetamide Formula: C25H28N6O3 MolecularWeight: 460.52822

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NN2C=CC(=C(C2=O)CC(=O)NCC3=CC=C(C=C3)C(=N)N)C4=CC(=CC(=C4)O)N

Isomeric SMILES

C1CC(C1)NN2C=CC(=C(C2=O)CC(=O)NCC3=CC=C(C=C3)C(=N)N)C4=CC(=CC(=C4)O)N

InChI

InChI=1S/C25H28N6O3/c26-18-10-17(11-20(32)12-18)21-8-9-31(30-19-2-1-3-19)25(34)22(21)13-23(33)29-14-15-4-6-16(7-5-15)24(27)28/h4-12,19,30,32H,1-3,13-14,26H2,(H3,27,28)(H,29,33)