8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-9-[2-[(phenylmethyl)amino]ethyl]purin-6-amine

Systemtic Name: 8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-9-[2-[(phenylmethyl)amino]ethyl]purin-6-amine Openeye Name: 9-[2-(benzylamino)ethyl]-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-6-amine CAS Name: 8-[(2-iodo-5-methoxyphenyl)thio]-9-[2-[(phenylmethyl)amino]ethyl]-6-purinamine IUPAC Name: 9-[2-(benzylamino)ethyl]-8-(2-iodo-5-methoxyphenyl)sulfanylpurin-6-amine Traditional Name: 2-[6-amino-8-[(2-iodo-5-methoxy-phenyl)thio]purin-9-yl]ethyl-benzyl-amine Formula: C21H21IN6OS MolecularWeight: 532.40051

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCNCC4=CC=CC=C4)N=CN=C3N

Isomeric SMILES

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCNCC4=CC=CC=C4)N=CN=C3N

InChI

InChI=1S/C21H21IN6OS/c1-29-15-7-8-16(22)17(11-15)30-21-27-18-19(23)25-13-26-20(18)28(21)10-9-24-12-14-5-3-2-4-6-14/h2-8,11,13,24H,9-10,12H2,1H3,(H2,23,25,26)