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

Systemtic Name: [5-[4-azanyl-1-(cyclopropylmethyl)-7-ethyl-5-fluoranyl-benzimidazol-2-yl]furan-2-yl]phosphonic acid Openeye Name: [5-[4-amino-1-(cyclopropylmethyl)-7-ethyl-5-fluoro-benzimidazol-2-yl]-2-furyl]phosphonic acid CAS Name: [5-[4-amino-1-(cyclopropylmethyl)-7-ethyl-5-fluoro-2-benzimidazolyl]-2-furanyl]phosphonic acid IUPAC Name: [5-[4-amino-1-(cyclopropylmethyl)-7-ethyl-5-fluorobenzimidazol-2-yl]furan-2-yl]phosphonic acid Traditional Name: [5-[4-amino-1-(cyclopropylmethyl)-7-ethyl-5-fluoro-benzimidazol-2-yl]-2-furyl]phosphonic acid Formula: C17H19FN3O4P MolecularWeight: 379.322624

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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)CC4CC4)N)F

Isomeric SMILES

CCC1=CC(=C(C2=C1N(C(=N2)C3=CC=C(O3)P(=O)(O)O)CC4CC4)N)F

InChI

InChI=1S/C17H19FN3O4P/c1-2-10-7-11(18)14(19)15-16(10)21(8-9-3-4-9)17(20-15)12-5-6-13(25-12)26(22,23)24/h5-7,9H,2-4,8,19H2,1H3,(H2,22,23,24)