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

Systemtic Name: (2R,3R,4S,5R)-2-[6-(cyclopentylamino)-2-(2-imidazol-1-ylethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: (2R,3R,4S,5R)-2-[6-(cyclopentylamino)-2-(2-imidazol-1-ylethylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: (2R,3R,4S,5R)-2-[6-(cyclopentylamino)-2-[2-(1-imidazolyl)ethylamino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: (2R,3R,4S,5R)-2-[6-(cyclopentylamino)-2-(2-imidazol-1-ylethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: (2R,3R,4S,5R)-2-[6-(cyclopentylamino)-2-(2-imidazol-1-ylethylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C20H28N8O4 MolecularWeight: 444.48752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)NCCN5C=CN=C5

Isomeric SMILES

C1CCC(C1)NC2=NC(=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)NCCN5C=CN=C5

InChI

InChI=1S/C20H28N8O4/c29-9-13-15(30)16(31)19(32-13)28-11-23-14-17(24-12-3-1-2-4-12)25-20(26-18(14)28)22-6-8-27-7-5-21-10-27/h5,7,10-13,15-16,19,29-31H,1-4,6,8-9H2,(H2,22,24,25,26)/t13-,15-,16-,19-/m1/s1