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

Systemtic Name: (2R)-3-[6-[(3-iodanylphenyl)methylamino]-2-methylsulfanyl-purin-9-yl]propane-1,2-diol Openeye Name: (2R)-3-[6-[(3-iodophenyl)methylamino]-2-methylsulfanyl-purin-9-yl]propane-1,2-diol CAS Name: (2R)-3-[6-[(3-iodophenyl)methylamino]-2-(methylthio)-9-purinyl]propane-1,2-diol IUPAC Name: (2R)-3-[6-[(3-iodophenyl)methylamino]-2-methylsulfanylpurin-9-yl]propane-1,2-diol Traditional Name: (2R)-3-[6-[(3-iodobenzyl)amino]-2-(methylthio)purin-9-yl]propane-1,2-diol Formula: C16H18IN5O2S MolecularWeight: 471.31589

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=N1)NCC3=CC(=CC=C3)I)N=CN2CC(CO)O

Isomeric SMILES

CSC1=NC2=C(C(=N1)NCC3=CC(=CC=C3)I)N=CN2C[C@H](CO)O

InChI

InChI=1S/C16H18IN5O2S/c1-25-16-20-14(18-6-10-3-2-4-11(17)5-10)13-15(21-16)22(9-19-13)7-12(24)8-23/h2-5,9,12,23-24H,6-8H2,1H3,(H,18,20,21)/t12-/m1/s1