[5-[4-azanyl-5-chloranyl-6,7-dimethyl-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid

Systemtic Name: [5-[4-azanyl-5-chloranyl-6,7-dimethyl-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid Openeye Name: [5-(4-amino-5-chloro-1-isobutyl-6,7-dimethyl-benzimidazol-2-yl)-2-furyl]phosphonic acid CAS Name: [5-[4-amino-5-chloro-6,7-dimethyl-1-(2-methylpropyl)-2-benzimidazolyl]-2-furanyl]phosphonic acid IUPAC Name: [5-[4-amino-5-chloro-6,7-dimethyl-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid Traditional Name: [5-(4-amino-5-chloro-1-isobutyl-6,7-dimethyl-benzimidazol-2-yl)-2-furyl]phosphonic acid Formula: C17H21ClN3O4P MolecularWeight: 397.793101

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1N(C(=N2)C3=CC=C(O3)P(=O)(O)O)CC(C)C)N)Cl)C

Isomeric SMILES

CC1=C(C(=C(C2=C1N(C(=N2)C3=CC=C(O3)P(=O)(O)O)CC(C)C)N)Cl)C

InChI

InChI=1S/C17H21ClN3O4P/c1-8(2)7-21-16-10(4)9(3)13(18)14(19)15(16)20-17(21)11-5-6-12(25-11)26(22,23)24/h5-6,8H,7,19H2,1-4H3,(H2,22,23,24)