4-carbamimidoyl-N-[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl]benzamide

Systemtic Name: 4-carbamimidoyl-N-[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl]benzamide Openeye Name: 4-carbamimidoyl-N-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyl]benzamide CAS Name: 4-carbamimidoyl-N-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl]benzamide IUPAC Name: 4-carbamimidoyl-N-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl]benzamide Traditional Name: 4-amidino-N-[(5-hydroxy-6-methyl-4-methylol-3-pyridyl)methyl]benzamide Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)CNC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)CNC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C16H18N4O3/c1-9-14(22)13(8-21)12(6-19-9)7-20-16(23)11-4-2-10(3-5-11)15(17)18/h2-6,21-22H,7-8H2,1H3,(H3,17,18)(H,20,23)