6-[5-[(4-carbamimidoylphenyl)methyl]furan-2-yl]pyridine-3-carboximidamide; ethanoic acid

Systemtic Name: 6-[5-[(4-carbamimidoylphenyl)methyl]furan-2-yl]pyridine-3-carboximidamide; ethanoic acid Openeye Name: acetic acid; 6-[5-[(4-carbamimidoylphenyl)methyl]-2-furyl]pyridine-3-carboxamidine CAS Name: acetic acid; 6-[5-[(4-carbamimidoylphenyl)methyl]-2-furanyl]-3-pyridinecarboximidamide IUPAC Name: acetic acid; 6-[5-[(4-carbamimidoylphenyl)methyl]furan-2-yl]pyridine-3-carboximidamide Traditional Name: acetic acid; 6-[5-(4-amidinobenzyl)-2-furyl]nicotinamidine Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC(=CC=C1CC2=CC=C(O2)C3=NC=C(C=C3)C(=N)N)C(=N)N

Isomeric SMILES

CC(=O)O.C1=CC(=CC=C1CC2=CC=C(O2)C3=NC=C(C=C3)C(=N)N)C(=N)N

InChI

InChI=1S/C18H17N5O.C2H4O2/c19-17(20)12-3-1-11(2-4-12)9-14-6-8-16(24-14)15-7-5-13(10-23-15)18(21)22;1-2(3)4/h1-8,10H,9H2,(H3,19,20)(H3,21,22);1H3,(H,3,4)