(2R,3R,4R,5R)-3-ethynyl-5-(hydroxymethyl)-2-[6-[2-(1H-indol-3-yl)ethylamino]purin-9-yl]oxolane-3,4-diol

Systemtic Name: (2R,3R,4R,5R)-3-ethynyl-5-(hydroxymethyl)-2-[6-[2-(1H-indol-3-yl)ethylamino]purin-9-yl]oxolane-3,4-diol Openeye Name: (2R,3R,4R,5R)-3-ethynyl-5-(hydroxymethyl)-2-[6-[2-(1H-indol-3-yl)ethylamino]purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: (2R,3R,4R,5R)-3-ethynyl-5-(hydroxymethyl)-2-[6-[2-(1H-indol-3-yl)ethylamino]-9-purinyl]oxolane-3,4-diol IUPAC Name: (2R,3R,4R,5R)-3-ethynyl-5-(hydroxymethyl)-2-[6-[2-(1H-indol-3-yl)ethylamino]purin-9-yl]oxolane-3,4-diol Traditional Name: (2R,3R,4R,5R)-3-ethynyl-2-[6-[2-(1H-indol-3-yl)ethylamino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C22H22N6O4 MolecularWeight: 434.44788

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C(OC1N2C=NC3=C2N=CN=C3NCCC4=CNC5=CC=CC=C54)CO)O)O

Isomeric SMILES

C#C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3NCCC4=CNC5=CC=CC=C54)CO)O)O

InChI

InChI=1S/C22H22N6O4/c1-2-22(31)18(30)16(10-29)32-21(22)28-12-27-17-19(25-11-26-20(17)28)23-8-7-13-9-24-15-6-4-3-5-14(13)15/h1,3-6,9,11-12,16,18,21,24,29-31H,7-8,10H2,(H,23,25,26)/t16-,18-,21-,22-/m1/s1