2-(1-adamantylamino)-9-[(2S,4R,5S)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-(1-adamantylamino)-9-[(2S,4R,5S)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-(1-adamantylamino)-9-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-(1-adamantylamino)-9-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-(1-adamantylamino)-9-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 2-(1-adamantylamino)-9-[(2S,4R,5S)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=NC(=O)C5=C(N4)N(C=N5)C6CC(C(O6)CO)O

Isomeric SMILES

C1[C@H]([C@@H](O[C@@H]1N2C=NC3=C2NC(=NC3=O)NC45CC6CC(C4)CC(C6)C5)CO)O

InChI

InChI=1S/C20H27N5O4/c26-8-14-13(27)4-15(29-14)25-9-21-16-17(25)22-19(23-18(16)28)24-20-5-10-1-11(6-20)3-12(2-10)7-20/h9-15,26-27H,1-8H2,(H2,22,23,24,28)/t10?,11?,12?,13-,14+,15+,20?/m1/s1