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

Systemtic Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[2-[2-(1H-indol-3-yl)ethylamino]-6-phenylazanyl-purin-9-yl]oxolane-3,4-diol Openeye Name: (2R,3R,4S,5R)-2-[6-anilino-2-[2-(1H-indol-3-yl)ethylamino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: (2R,3R,4S,5R)-2-[6-anilino-2-[2-(1H-indol-3-yl)ethylamino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: (2R,3R,4S,5R)-2-[6-anilino-2-[2-(1H-indol-3-yl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: (2R,3R,4S,5R)-2-[6-anilino-2-[2-(1H-indol-3-yl)ethylamino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C26H27N7O4 MolecularWeight: 501.53708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)NCCC5=CNC6=CC=CC=C65

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)NCCC5=CNC6=CC=CC=C65

InChI

InChI=1S/C26H27N7O4/c34-13-19-21(35)22(36)25(37-19)33-14-29-20-23(30-16-6-2-1-3-7-16)31-26(32-24(20)33)27-11-10-15-12-28-18-9-5-4-8-17(15)18/h1-9,12,14,19,21-22,25,28,34-36H,10-11,13H2,(H2,27,30,31,32)/t19-,21-,22-,25-/m1/s1