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

Systemtic Name: N-[2-[6-azanyl-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-9-yl]ethyl]-N-(2-methylpropyl)ethanamide Openeye Name: N-[2-[6-amino-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-9-yl]ethyl]-N-isobutyl-acetamide CAS Name: N-[2-[6-amino-8-[(2-iodo-5-methoxyphenyl)thio]-9-purinyl]ethyl]-N-(2-methylpropyl)acetamide IUPAC Name: N-[2-[6-amino-8-(2-iodo-5-methoxyphenyl)sulfanylpurin-9-yl]ethyl]-N-(2-methylpropyl)acetamide Traditional Name: N-[2-[6-amino-8-[(2-iodo-5-methoxy-phenyl)thio]purin-9-yl]ethyl]-N-isobutyl-acetamide Formula: C20H25IN6O2S MolecularWeight: 540.42097

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I)C(=O)C

Isomeric SMILES

CC(C)CN(CCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I)C(=O)C

InChI

InChI=1S/C20H25IN6O2S/c1-12(2)10-26(13(3)28)7-8-27-19-17(18(22)23-11-24-19)25-20(27)30-16-9-14(29-4)5-6-15(16)21/h5-6,9,11-12H,7-8,10H2,1-4H3,(H2,22,23,24)