[5-[4-azanyl-1-(2-methylpropyl)-5-oxidanyl-benzimidazol-2-yl]furan-2-yl]phosphonic acid

Systemtic Name: [5-[4-azanyl-1-(2-methylpropyl)-5-oxidanyl-benzimidazol-2-yl]furan-2-yl]phosphonic acid Openeye Name: [5-(4-amino-5-hydroxy-1-isobutyl-benzimidazol-2-yl)-2-furyl]phosphonic acid CAS Name: [5-[4-amino-5-hydroxy-1-(2-methylpropyl)-2-benzimidazolyl]-2-furanyl]phosphonic acid IUPAC Name: [5-[4-amino-5-hydroxy-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid Traditional Name: [5-(4-amino-5-hydroxy-1-isobutyl-benzimidazol-2-yl)-2-furyl]phosphonic acid Formula: C15H18N3O5P MolecularWeight: 351.294281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=C(C=C2)O)N)N=C1C3=CC=C(O3)P(=O)(O)O

Isomeric SMILES

CC(C)CN1C2=C(C(=C(C=C2)O)N)N=C1C3=CC=C(O3)P(=O)(O)O

InChI

InChI=1S/C15H18N3O5P/c1-8(2)7-18-9-3-4-10(19)13(16)14(9)17-15(18)11-5-6-12(23-11)24(20,21)22/h3-6,8,19H,7,16H2,1-2H3,(H2,20,21,22)