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

Systemtic Name: [5-[6-azanyl-9-(3,3-dimethylbutyl)purin-8-yl]furan-2-yl]phosphonic acid Openeye Name: [5-[6-amino-9-(3,3-dimethylbutyl)purin-8-yl]-2-furyl]phosphonic acid CAS Name: [5-[6-amino-9-(3,3-dimethylbutyl)-8-purinyl]-2-furanyl]phosphonic acid IUPAC Name: [5-[6-amino-9-(3,3-dimethylbutyl)purin-8-yl]furan-2-yl]phosphonic acid Traditional Name: [5-[6-amino-9-(3,3-dimethylbutyl)purin-8-yl]-2-furyl]phosphonic acid Formula: C15H20N5O4P MolecularWeight: 365.324161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCN1C2=C(C(=NC=N2)N)N=C1C3=CC=C(O3)P(=O)(O)O

Isomeric SMILES

CC(C)(C)CCN1C2=C(C(=NC=N2)N)N=C1C3=CC=C(O3)P(=O)(O)O

InChI

InChI=1S/C15H20N5O4P/c1-15(2,3)6-7-20-13(9-4-5-10(24-9)25(21,22)23)19-11-12(16)17-8-18-14(11)20/h4-5,8H,6-7H2,1-3H3,(H2,16,17,18)(H2,21,22,23)