[4-azanyl-7-bromanyl-5-fluoranyl-1-(2-methylpropyl)benzimidazol-2-yl]phosphonic acid; methoxymethane

Systemtic Name: [4-azanyl-7-bromanyl-5-fluoranyl-1-(2-methylpropyl)benzimidazol-2-yl]phosphonic acid; methoxymethane Openeye Name: (4-amino-7-bromo-5-fluoro-1-isobutyl-benzimidazol-2-yl)phosphonic acid; methoxymethane CAS Name: [4-amino-7-bromo-5-fluoro-1-(2-methylpropyl)-2-benzimidazolyl]phosphonic acid; methoxymethane IUPAC Name: [4-amino-7-bromo-5-fluoro-1-(2-methylpropyl)benzimidazol-2-yl]phosphonic acid; methoxymethane Traditional Name: (4-amino-7-bromo-5-fluoro-1-isobutyl-benzimidazol-2-yl)phosphonic acid; methoxymethane Formula: C13H20BrFN3O4P MolecularWeight: 412.191764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C(C(=C2N=C1P(=O)(O)O)N)F)Br.COC

Isomeric SMILES

CC(C)CN1C2=C(C=C(C(=C2N=C1P(=O)(O)O)N)F)Br.COC

InChI

InChI=1S/C11H14BrFN3O3P.C2H6O/c1-5(2)4-16-10-6(12)3-7(13)8(14)9(10)15-11(16)20(17,18)19;1-3-2/h3,5H,4,14H2,1-2H3,(H2,17,18,19);1-2H3