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

Systemtic Name: (2S)-3-[6-[(3-iodanylphenyl)methylamino]purin-9-yl]propane-1,2-diol Openeye Name: (2S)-3-[6-[(3-iodophenyl)methylamino]purin-9-yl]propane-1,2-diol CAS Name: (2S)-3-[6-[(3-iodophenyl)methylamino]-9-purinyl]propane-1,2-diol IUPAC Name: (2S)-3-[6-[(3-iodophenyl)methylamino]purin-9-yl]propane-1,2-diol Traditional Name: (2S)-3-[6-[(3-iodobenzyl)amino]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)CNC2=NC=NC3=C2N=CN3CC(CO)O

Isomeric SMILES

C1=CC(=CC(=C1)I)CNC2=NC=NC3=C2N=CN3C[C@@H](CO)O

InChI

InChI=1S/C15H16IN5O2/c16-11-3-1-2-10(4-11)5-17-14-13-15(19-8-18-14)21(9-20-13)6-12(23)7-22/h1-4,8-9,12,22-23H,5-7H2,(H,17,18,19)/t12-/m0/s1