(2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-(oxan-2-yloxymethyl)-4-phenylmethoxy-oxolan-3-ol

Systemtic Name: (2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-(oxan-2-yloxymethyl)-4-phenylmethoxy-oxolan-3-ol Openeye Name: (2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-4-benzyloxy-5-(tetrahydropyran-2-yloxymethyl)tetrahydrofuran-3-ol CAS Name: (2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-(2-oxanyloxymethyl)-4-phenylmethoxy-3-oxolanol IUPAC Name: (2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-(oxan-2-yloxymethyl)-4-phenylmethoxyoxolan-3-ol Traditional Name: (2R,3S,4S,5R)-2-adenin-9-yl-4-benzoxy-5-(tetrahydropyran-2-yloxymethyl)tetrahydrofuran-3-ol Formula: C22H27N5O5 MolecularWeight: 441.48028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)OCC5=CC=CC=C5

Isomeric SMILES

C1CCOC(C1)OC[C@@H]2[C@H]([C@@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)OCC5=CC=CC=C5

InChI

InChI=1S/C22H27N5O5/c23-20-17-21(25-12-24-20)27(13-26-17)22-18(28)19(31-10-14-6-2-1-3-7-14)15(32-22)11-30-16-8-4-5-9-29-16/h1-3,6-7,12-13,15-16,18-19,22,28H,4-5,8-11H2,(H2,23,24,25)/t15-,16?,18+,19-,22-/m1/s1