[5-[6-azanyl-9-(2,2-diphenylethyl)purin-8-yl]furan-2-yl]phosphonic acid

Systemtic Name: [5-[6-azanyl-9-(2,2-diphenylethyl)purin-8-yl]furan-2-yl]phosphonic acid Openeye Name: [5-[6-amino-9-(2,2-diphenylethyl)purin-8-yl]-2-furyl]phosphonic acid CAS Name: [5-[6-amino-9-(2,2-diphenylethyl)-8-purinyl]-2-furanyl]phosphonic acid IUPAC Name: [5-[6-amino-9-(2,2-diphenylethyl)purin-8-yl]furan-2-yl]phosphonic acid Traditional Name: [5-[6-amino-9-(2,2-diphenylethyl)purin-8-yl]-2-furyl]phosphonic acid Formula: C23H20N5O4P MolecularWeight: 461.409761

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CN2C3=C(C(=NC=N3)N)N=C2C4=CC=C(O4)P(=O)(O)O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(CN2C3=C(C(=NC=N3)N)N=C2C4=CC=C(O4)P(=O)(O)O)C5=CC=CC=C5

InChI

InChI=1S/C23H20N5O4P/c24-21-20-23(26-14-25-21)28(22(27-20)18-11-12-19(32-18)33(29,30)31)13-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,14,17H,13H2,(H2,24,25,26)(H2,29,30,31)