[5-[4-azanyl-1-(cyclobutylmethyl)-7-ethyl-5-fluoranyl-benzimidazol-2-yl]furan-2-yl]phosphonic acid

Systemtic Name: [5-[4-azanyl-1-(cyclobutylmethyl)-7-ethyl-5-fluoranyl-benzimidazol-2-yl]furan-2-yl]phosphonic acid Openeye Name: [5-[4-amino-1-(cyclobutylmethyl)-7-ethyl-5-fluoro-benzimidazol-2-yl]-2-furyl]phosphonic acid CAS Name: [5-[4-amino-1-(cyclobutylmethyl)-7-ethyl-5-fluoro-2-benzimidazolyl]-2-furanyl]phosphonic acid IUPAC Name: [5-[4-amino-1-(cyclobutylmethyl)-7-ethyl-5-fluorobenzimidazol-2-yl]furan-2-yl]phosphonic acid Traditional Name: [5-[4-amino-1-(cyclobutylmethyl)-7-ethyl-5-fluoro-benzimidazol-2-yl]-2-furyl]phosphonic acid Formula: C18H21FN3O4P MolecularWeight: 393.349204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C2=C1N(C(=N2)C3=CC=C(O3)P(=O)(O)O)CC4CCC4)N)F

Isomeric SMILES

CCC1=CC(=C(C2=C1N(C(=N2)C3=CC=C(O3)P(=O)(O)O)CC4CCC4)N)F

InChI

InChI=1S/C18H21FN3O4P/c1-2-11-8-12(19)15(20)16-17(11)22(9-10-4-3-5-10)18(21-16)13-6-7-14(26-13)27(23,24)25/h6-8,10H,2-5,9,20H2,1H3,(H2,23,24,25)