N-[9-[(2R)-2,3-bis(oxidanyl)propyl]-2-methylsulfanyl-purin-6-yl]-3-iodanyl-benzamide

Systemtic Name: N-[9-[(2R)-2,3-bis(oxidanyl)propyl]-2-methylsulfanyl-purin-6-yl]-3-iodanyl-benzamide Openeye Name: N-[9-[(2R)-2,3-dihydroxypropyl]-2-methylsulfanyl-purin-6-yl]-3-iodo-benzamide CAS Name: N-[9-[(2R)-2,3-dihydroxypropyl]-2-(methylthio)-6-purinyl]-3-iodobenzamide IUPAC Name: N-[9-[(2R)-2,3-dihydroxypropyl]-2-methylsulfanylpurin-6-yl]-3-iodobenzamide Traditional Name: N-[9-[(2R)-2,3-dihydroxypropyl]-2-(methylthio)purin-6-yl]-3-iodo-benzamide Formula: C16H16IN5O3S MolecularWeight: 485.29941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16IN5O3S/c1-26-16-20-13(19-15(25)9-3-2-4-10(17)5-9)12-14(21-16)22(8-18-12)6-11(24)7-23/h2-5,8,11,23-24H,6-7H2,1H3,(H,19,20,21,25)/t11-/m1/s1