2-chloranyl-N-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]pyridine-3-carboxamide

Systemtic Name: 2-chloranyl-N-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]pyridine-3-carboxamide Openeye Name: 2-chloro-N-[6-(N'-isopropylcarbamimidoyl)-1H-benzimidazol-2-yl]pyridine-3-carboxamide CAS Name: N-[6-[amino(propan-2-ylimino)methyl]-1H-benzimidazol-2-yl]-2-chloro-3-pyridinecarboxamide IUPAC Name: 2-chloro-N-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]pyridine-3-carboxamide Traditional Name: 2-chloro-N-[6-(N'-isopropylamidino)-1H-benzimidazol-2-yl]nicotinamide Formula: C17H17ClN6O MolecularWeight: 356.80948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C(C1=CC2=C(C=C1)N=C(N2)NC(=O)C3=C(N=CC=C3)Cl)N

Isomeric SMILES

CC(C)N=C(C1=CC2=C(C=C1)N=C(N2)NC(=O)C3=C(N=CC=C3)Cl)N

InChI

InChI=1S/C17H17ClN6O/c1-9(2)21-15(19)10-5-6-12-13(8-10)23-17(22-12)24-16(25)11-4-3-7-20-14(11)18/h3-9H,1-2H3,(H2,19,21)(H2,22,23,24,25)