3-[6-azanyl-2-[(3-iodanylphenyl)methyl]purin-9-yl]propane-1,2-diol

Systemtic Name: 3-[6-azanyl-2-[(3-iodanylphenyl)methyl]purin-9-yl]propane-1,2-diol Openeye Name: 3-[6-amino-2-[(3-iodophenyl)methyl]purin-9-yl]propane-1,2-diol CAS Name: 3-[6-amino-2-[(3-iodophenyl)methyl]-9-purinyl]propane-1,2-diol IUPAC Name: 3-[6-amino-2-[(3-iodophenyl)methyl]purin-9-yl]propane-1,2-diol Traditional Name: 3-[6-amino-2-(3-iodobenzyl)purin-9-yl]propane-1,2-diol Formula: C15H16IN5O2 MolecularWeight: 425.22431

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)CC2=NC3=C(C(=N2)N)N=CN3CC(CO)O

Isomeric SMILES

C1=CC(=CC(=C1)I)CC2=NC3=C(C(=N2)N)N=CN3CC(CO)O

InChI

InChI=1S/C15H16IN5O2/c16-10-3-1-2-9(4-10)5-12-19-14(17)13-15(20-12)21(8-18-13)6-11(23)7-22/h1-4,8,11,22-23H,5-7H2,(H2,17,19,20)