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

Systemtic Name: 2-[2-azanyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[2-amino-6-[(3-iodophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[2-amino-6-[(3-iodophenyl)methylamino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[2-amino-6-[(3-iodophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[2-amino-6-[(3-iodobenzyl)amino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C17H19IN6O4 MolecularWeight: 498.27503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19IN6O4/c18-9-3-1-2-8(4-9)5-20-14-11-15(23-17(19)22-14)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,(H3,19,20,22,23)