2-[2-(3-aminophenyl)-1-methyl-4-oxidanylidene-5-(propan-2-ylamino)pyridin-3-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide

Systemtic Name: 2-[2-(3-aminophenyl)-1-methyl-4-oxidanylidene-5-(propan-2-ylamino)pyridin-3-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[2-(3-aminophenyl)-5-(isopropylamino)-1-methyl-4-oxo-3-pyridyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[2-(3-aminophenyl)-1-methyl-4-oxo-5-(propan-2-ylamino)-3-pyridinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[2-(3-aminophenyl)-1-methyl-4-oxo-5-(propan-2-ylamino)pyridin-3-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[2-(3-aminophenyl)-5-(isopropylamino)-4-keto-1-methyl-3-pyridyl]acetamide Formula: C25H30N6O2 MolecularWeight: 446.5447

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N6O2/c1-15(2)30-21-14-31(3)23(18-5-4-6-19(26)11-18)20(24(21)33)12-22(32)29-13-16-7-9-17(10-8-16)25(27)28/h4-11,14-15,30H,12-13,26H2,1-3H3,(H3,27,28)(H,29,32)