[2-[4-azanyl-1-(4-azanyl-4-oxidanylidene-butyl)benzimidazol-2-yl]furan-3-yl]phosphonic acid

Systemtic Name: [2-[4-azanyl-1-(4-azanyl-4-oxidanylidene-butyl)benzimidazol-2-yl]furan-3-yl]phosphonic acid Openeye Name: [2-[4-amino-1-(4-amino-4-oxo-butyl)benzimidazol-2-yl]-3-furyl]phosphonic acid CAS Name: [2-[4-amino-1-(4-amino-4-oxobutyl)-2-benzimidazolyl]-3-furanyl]phosphonic acid IUPAC Name: [2-[4-amino-1-(4-amino-4-oxobutyl)benzimidazol-2-yl]furan-3-yl]phosphonic acid Traditional Name: [2-[4-amino-1-(4-amino-4-keto-butyl)benzimidazol-2-yl]-3-furyl]phosphonic acid Formula: C15H17N4O5P MolecularWeight: 364.293041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)N)N=C(N2CCCC(=O)N)C3=C(C=CO3)P(=O)(O)O

Isomeric SMILES

C1=CC2=C(C(=C1)N)N=C(N2CCCC(=O)N)C3=C(C=CO3)P(=O)(O)O

InChI

InChI=1S/C15H17N4O5P/c16-9-3-1-4-10-13(9)18-15(19(10)7-2-5-12(17)20)14-11(6-8-24-14)25(21,22)23/h1,3-4,6,8H,2,5,7,16H2,(H2,17,20)(H2,21,22,23)