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

Systemtic Name: 8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-9-[2-(prop-2-enylamino)ethyl]purin-6-amine Openeye Name: 9-[2-(allylamino)ethyl]-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-6-amine CAS Name: 8-[(2-iodo-5-methoxyphenyl)thio]-9-[2-(prop-2-enylamino)ethyl]-6-purinamine IUPAC Name: 8-(2-iodo-5-methoxyphenyl)sulfanyl-9-[2-(prop-2-enylamino)ethyl]purin-6-amine Traditional Name: allyl-[2-[6-amino-8-[(2-iodo-5-methoxy-phenyl)thio]purin-9-yl]ethyl]amine Formula: C17H19IN6OS MolecularWeight: 482.34183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19IN6OS/c1-3-6-20-7-8-24-16-14(15(19)21-10-22-16)23-17(24)26-13-9-11(25-2)4-5-12(13)18/h3-5,9-10,20H,1,6-8H2,2H3,(H2,19,21,22)