[2-[6-azanyl-9-(3-imidazol-1-ylpropyl)purin-8-yl]furan-3-yl]phosphonic acid

Systemtic Name: [2-[6-azanyl-9-(3-imidazol-1-ylpropyl)purin-8-yl]furan-3-yl]phosphonic acid Openeye Name: [2-[6-amino-9-(3-imidazol-1-ylpropyl)purin-8-yl]-3-furyl]phosphonic acid CAS Name: [2-[6-amino-9-[3-(1-imidazolyl)propyl]-8-purinyl]-3-furanyl]phosphonic acid IUPAC Name: [2-[6-amino-9-(3-imidazol-1-ylpropyl)purin-8-yl]furan-3-yl]phosphonic acid Traditional Name: [2-[6-amino-9-(3-imidazol-1-ylpropyl)purin-8-yl]-3-furyl]phosphonic acid Formula: C15H16N7O4P MolecularWeight: 389.305801

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1P(=O)(O)O)C2=NC3=C(N2CCCN4C=CN=C4)N=CN=C3N

Isomeric SMILES

C1=COC(=C1P(=O)(O)O)C2=NC3=C(N2CCCN4C=CN=C4)N=CN=C3N

InChI

InChI=1S/C15H16N7O4P/c16-13-11-14(19-8-18-13)22(5-1-4-21-6-3-17-9-21)15(20-11)12-10(2-7-26-12)27(23,24)25/h2-3,6-9H,1,4-5H2,(H2,16,18,19)(H2,23,24,25)