(2R,3R,4S,5S)-4-azido-5-(hydroxymethyl)-2-[6-[(3-iodanylphenyl)methylamino]purin-9-yl]oxolan-3-ol

Systemtic Name: (2R,3R,4S,5S)-4-azido-5-(hydroxymethyl)-2-[6-[(3-iodanylphenyl)methylamino]purin-9-yl]oxolan-3-ol Openeye Name: (2R,3R,4S,5S)-4-azido-5-(hydroxymethyl)-2-[6-[(3-iodophenyl)methylamino]purin-9-yl]tetrahydrofuran-3-ol CAS Name: (2R,3R,4S,5S)-4-azido-5-(hydroxymethyl)-2-[6-[(3-iodophenyl)methylamino]-9-purinyl]-3-oxolanol IUPAC Name: (2R,3R,4S,5S)-4-azido-5-(hydroxymethyl)-2-[6-[(3-iodophenyl)methylamino]purin-9-yl]oxolan-3-ol Traditional Name: (2R,3R,4S,5S)-4-azido-2-[6-[(3-iodobenzyl)amino]purin-9-yl]-5-methylol-tetrahydrofuran-3-ol Formula: C17H17IN8O3 MolecularWeight: 508.27315

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)CNC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)N=[N+]=[N-])O

Isomeric SMILES

C1=CC(=CC(=C1)I)CNC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)N=[N+]=[N-])O

InChI

InChI=1S/C17H17IN8O3/c18-10-3-1-2-9(4-10)5-20-15-13-16(22-7-21-15)26(8-23-13)17-14(28)12(24-25-19)11(6-27)29-17/h1-4,7-8,11-12,14,17,27-28H,5-6H2,(H,20,21,22)/t11-,12-,14-,17-/m1/s1