(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[2-(2-imidazol-1-ylethylamino)-6-(phenethylamino)purin-9-yl]oxolane-3,4-diol

Systemtic Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[2-(2-imidazol-1-ylethylamino)-6-(phenethylamino)purin-9-yl]oxolane-3,4-diol Openeye Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[2-(2-imidazol-1-ylethylamino)-6-(phenethylamino)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[2-[2-(1-imidazolyl)ethylamino]-6-(phenethylamino)-9-purinyl]oxolane-3,4-diol IUPAC Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[2-(2-imidazol-1-ylethylamino)-6-(phenethylamino)purin-9-yl]oxolane-3,4-diol Traditional Name: (2R,3R,4S,5R)-2-[2-(2-imidazol-1-ylethylamino)-6-(phenethylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C23H28N8O4 MolecularWeight: 480.51962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)NCCN5C=CN=C5

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)NCCN5C=CN=C5

InChI

InChI=1S/C23H28N8O4/c32-12-16-18(33)19(34)22(35-16)31-14-27-17-20(25-7-6-15-4-2-1-3-5-15)28-23(29-21(17)31)26-9-11-30-10-8-24-13-30/h1-5,8,10,13-14,16,18-19,22,32-34H,6-7,9,11-12H2,(H2,25,26,28,29)/t16-,18-,19-,22-/m1/s1