[5-[9-(1-adamantylmethyl)-6-azanyl-purin-8-yl]furan-2-yl]phosphonic acid

Systemtic Name: [5-[9-(1-adamantylmethyl)-6-azanyl-purin-8-yl]furan-2-yl]phosphonic acid Openeye Name: [5-[9-(1-adamantylmethyl)-6-amino-purin-8-yl]-2-furyl]phosphonic acid CAS Name: [5-[9-(1-adamantylmethyl)-6-amino-8-purinyl]-2-furanyl]phosphonic acid IUPAC Name: [5-[9-(1-adamantylmethyl)-6-aminopurin-8-yl]furan-2-yl]phosphonic acid Traditional Name: [5-[9-(1-adamantylmethyl)-6-amino-purin-8-yl]-2-furyl]phosphonic acid Formula: C20H24N5O4P MolecularWeight: 429.409421

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CN4C5=C(C(=NC=N5)N)N=C4C6=CC=C(O6)P(=O)(O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CN4C5=C(C(=NC=N5)N)N=C4C6=CC=C(O6)P(=O)(O)O

InChI

InChI=1S/C20H24N5O4P/c21-17-16-19(23-10-22-17)25(18(24-16)14-1-2-15(29-14)30(26,27)28)9-20-6-11-3-12(7-20)5-13(4-11)8-20/h1-2,10-13H,3-9H2,(H2,21,22,23)(H2,26,27,28)