2-[3-[3,5-bis(azanyl)phenyl]-1-oxidanyl-6-propan-2-ylimino-pyridin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide

Systemtic Name: 2-[3-[3,5-bis(azanyl)phenyl]-1-oxidanyl-6-propan-2-ylimino-pyridin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[3-(3,5-diaminophenyl)-1-hydroxy-6-isopropylimino-2-pyridyl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[3-(3,5-diaminophenyl)-1-hydroxy-6-propan-2-ylimino-2-pyridinyl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[3-(3,5-diaminophenyl)-1-hydroxy-6-propan-2-yliminopyridin-2-yl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[3-(3,5-diaminophenyl)-1-hydroxy-6-isopropylimino-2-pyridyl]acetamide Formula: C24H29N7O2 MolecularWeight: 447.53276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C1C=CC(=C(N1O)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CC(=CC(=C3)N)N

Isomeric SMILES

CC(C)N=C1C=CC(=C(N1O)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CC(=CC(=C3)N)N

InChI

InChI=1S/C24H29N7O2/c1-14(2)30-22-8-7-20(17-9-18(25)11-19(26)10-17)21(31(22)33)12-23(32)29-13-15-3-5-16(6-4-15)24(27)28/h3-11,14,33H,12-13,25-26H2,1-2H3,(H3,27,28)(H,29,32)