[5-[6-azanyl-9-(2,2-dimethyl-3-oxidanyl-propyl)purin-8-yl]furan-2-yl]phosphonic acid

Systemtic Name: [5-[6-azanyl-9-(2,2-dimethyl-3-oxidanyl-propyl)purin-8-yl]furan-2-yl]phosphonic acid Openeye Name: [5-[6-amino-9-(3-hydroxy-2,2-dimethyl-propyl)purin-8-yl]-2-furyl]phosphonic acid CAS Name: [5-[6-amino-9-(3-hydroxy-2,2-dimethylpropyl)-8-purinyl]-2-furanyl]phosphonic acid IUPAC Name: [5-[6-amino-9-(3-hydroxy-2,2-dimethylpropyl)purin-8-yl]furan-2-yl]phosphonic acid Traditional Name: [5-[6-amino-9-(3-hydroxy-2,2-dimethyl-propyl)purin-8-yl]-2-furyl]phosphonic acid Formula: C14H18N5O5P MolecularWeight: 367.296981

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1C2=C(C(=NC=N2)N)N=C1C3=CC=C(O3)P(=O)(O)O)CO

Isomeric SMILES

CC(C)(CN1C2=C(C(=NC=N2)N)N=C1C3=CC=C(O3)P(=O)(O)O)CO

InChI

InChI=1S/C14H18N5O5P/c1-14(2,6-20)5-19-12(8-3-4-9(24-8)25(21,22)23)18-10-11(15)16-7-17-13(10)19/h3-4,7,20H,5-6H2,1-2H3,(H2,15,16,17)(H2,21,22,23)