4-[[(4-carbamimidoylphenyl)-[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl]amino]methyl]benzenecarboximidamide

Systemtic Name: 4-[[(4-carbamimidoylphenyl)-[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl]amino]methyl]benzenecarboximidamide Openeye Name: 4-[[4-carbamimidoyl-N-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyl]anilino]methyl]benzamidine CAS Name: 4-[[4-carbamimidoyl-N-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl]anilino]methyl]benzenecarboximidamide IUPAC Name: 4-[[4-carbamimidoyl-N-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl]anilino]methyl]benzenecarboximidamide Traditional Name: 4-[[4-amidino-N-[(5-hydroxy-6-methyl-4-methylol-3-pyridyl)methyl]anilino]methyl]benzamidine Formula: C23H26N6O2 MolecularWeight: 418.49154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)CN(CC2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)CN(CC2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H26N6O2/c1-14-21(31)20(13-30)18(10-28-14)12-29(19-8-6-17(7-9-19)23(26)27)11-15-2-4-16(5-3-15)22(24)25/h2-10,30-31H,11-13H2,1H3,(H3,24,25)(H3,26,27)