1-[6-azanyl-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-9-yl]propan-2-one

Systemtic Name: 1-[6-azanyl-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-9-yl]propan-2-one Openeye Name: 1-[6-amino-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-9-yl]propan-2-one CAS Name: 1-[6-amino-8-[(2-iodo-5-methoxyphenyl)thio]-9-purinyl]-2-propanone IUPAC Name: 1-[6-amino-8-(2-iodo-5-methoxyphenyl)sulfanylpurin-9-yl]propan-2-one Traditional Name: 1-[6-amino-8-[(2-iodo-5-methoxy-phenyl)thio]purin-9-yl]acetone Formula: C15H14IN5O2S MolecularWeight: 455.27343

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I

Isomeric SMILES

CC(=O)CN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I

InChI

InChI=1S/C15H14IN5O2S/c1-8(22)6-21-14-12(13(17)18-7-19-14)20-15(21)24-11-5-9(23-2)3-4-10(11)16/h3-5,7H,6H2,1-2H3,(H2,17,18,19)