2-chloranyl-5-(hydroxymethyl)-2-[6-[(3-iodanylphenyl)methylamino]purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-chloranyl-5-(hydroxymethyl)-2-[6-[(3-iodanylphenyl)methylamino]purin-9-yl]oxolane-3,4-diol Openeye Name: 2-chloro-5-(hydroxymethyl)-2-[6-[(3-iodophenyl)methylamino]purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-chloro-5-(hydroxymethyl)-2-[6-[(3-iodophenyl)methylamino]-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-chloro-5-(hydroxymethyl)-2-[6-[(3-iodophenyl)methylamino]purin-9-yl]oxolane-3,4-diol Traditional Name: 2-chloro-2-[6-[(3-iodobenzyl)amino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C17H17ClIN5O4 MolecularWeight: 517.70545

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)CNC2=NC=NC3=C2N=CN3C4(C(C(C(O4)CO)O)O)Cl

Isomeric SMILES

C1=CC(=CC(=C1)I)CNC2=NC=NC3=C2N=CN3C4(C(C(C(O4)CO)O)O)Cl

InChI

InChI=1S/C17H17ClIN5O4/c18-17(14(27)13(26)11(6-25)28-17)24-8-23-12-15(21-7-22-16(12)24)20-5-9-2-1-3-10(19)4-9/h1-4,7-8,11,13-14,25-27H,5-6H2,(H,20,21,22)