N-[2-[6-azanyl-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-9-yl]ethyl]ethanamide

Systemtic Name: N-[2-[6-azanyl-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-9-yl]ethyl]ethanamide Openeye Name: N-[2-[6-amino-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-9-yl]ethyl]acetamide CAS Name: N-[2-[6-amino-8-[(2-iodo-5-methoxyphenyl)thio]-9-purinyl]ethyl]acetamide IUPAC Name: N-[2-[6-amino-8-(2-iodo-5-methoxyphenyl)sulfanylpurin-9-yl]ethyl]acetamide Traditional Name: N-[2-[6-amino-8-[(2-iodo-5-methoxy-phenyl)thio]purin-9-yl]ethyl]acetamide Formula: C16H17IN6O2S MolecularWeight: 484.31465

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I

Isomeric SMILES

CC(=O)NCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I

InChI

InChI=1S/C16H17IN6O2S/c1-9(24)19-5-6-23-15-13(14(18)20-8-21-15)22-16(23)26-12-7-10(25-2)3-4-11(12)17/h3-4,7-8H,5-6H2,1-2H3,(H,19,24)(H2,18,20,21)