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

Systemtic Name: 2-[2-chloranyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)thiolane-3,4-diol Openeye Name: 2-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)tetrahydrothiophene-3,4-diol CAS Name: 2-[2-chloro-6-[(3-iodophenyl)methylamino]-9-purinyl]-5-(hydroxymethyl)thiolane-3,4-diol IUPAC Name: 2-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)thiolane-3,4-diol Traditional Name: 2-[2-chloro-6-[(3-iodobenzyl)amino]purin-9-yl]-5-methylol-tetrahydrothiophene-3,4-diol Formula: C17H17ClIN5O3S MolecularWeight: 533.77105

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)CNC2=NC(=NC3=C2N=CN3C4C(C(C(S4)CO)O)O)Cl

Isomeric SMILES

C1=CC(=CC(=C1)I)CNC2=NC(=NC3=C2N=CN3C4C(C(C(S4)CO)O)O)Cl

InChI

InChI=1S/C17H17ClIN5O3S/c18-17-22-14(20-5-8-2-1-3-9(19)4-8)11-15(23-17)24(7-21-11)16-13(27)12(26)10(6-25)28-16/h1-4,7,10,12-13,16,25-27H,5-6H2,(H,20,22,23)