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

Systemtic Name: [5-[4-azanyl-1-(2,2-dimethylpropyl)-7-ethyl-5-fluoranyl-benzimidazol-2-yl]furan-2-yl]phosphonic acid Openeye Name: [5-[4-amino-1-(2,2-dimethylpropyl)-7-ethyl-5-fluoro-benzimidazol-2-yl]-2-furyl]phosphonic acid CAS Name: [5-[4-amino-1-(2,2-dimethylpropyl)-7-ethyl-5-fluoro-2-benzimidazolyl]-2-furanyl]phosphonic acid IUPAC Name: [5-[4-amino-1-(2,2-dimethylpropyl)-7-ethyl-5-fluorobenzimidazol-2-yl]furan-2-yl]phosphonic acid Traditional Name: [5-(4-amino-7-ethyl-5-fluoro-1-neopentyl-benzimidazol-2-yl)-2-furyl]phosphonic acid Formula: C18H23FN3O4P MolecularWeight: 395.365084

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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)CC(C)(C)C)N)F

Isomeric SMILES

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

InChI

InChI=1S/C18H23FN3O4P/c1-5-10-8-11(19)14(20)15-16(10)22(9-18(2,3)4)17(21-15)12-6-7-13(26-12)27(23,24)25/h6-8H,5,9,20H2,1-4H3,(H2,23,24,25)