2-[2-[6-azanyl-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-9-yl]ethylamino]ethanenitrile

Systemtic Name: 2-[2-[6-azanyl-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-9-yl]ethylamino]ethanenitrile Openeye Name: 2-[2-[6-amino-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-9-yl]ethylamino]acetonitrile CAS Name: 2-[2-[6-amino-8-[(2-iodo-5-methoxyphenyl)thio]-9-purinyl]ethylamino]acetonitrile IUPAC Name: 2-[2-[6-amino-8-(2-iodo-5-methoxyphenyl)sulfanylpurin-9-yl]ethylamino]acetonitrile Traditional Name: 2-[2-[6-amino-8-[(2-iodo-5-methoxy-phenyl)thio]purin-9-yl]ethylamino]acetonitrile Formula: C16H16IN7OS MolecularWeight: 481.31401

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCNCC#N)N=CN=C3N

Isomeric SMILES

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCNCC#N)N=CN=C3N

InChI

InChI=1S/C16H16IN7OS/c1-25-10-2-3-11(17)12(8-10)26-16-23-13-14(19)21-9-22-15(13)24(16)7-6-20-5-4-18/h2-3,8-9,20H,5-7H2,1H3,(H2,19,21,22)