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

Systemtic Name: 8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-9-[2-(2-methylprop-2-enylamino)ethyl]purin-6-amine Openeye Name: 8-(2-iodo-5-methoxy-phenyl)sulfanyl-9-[2-(2-methylallylamino)ethyl]purin-6-amine CAS Name: 8-[(2-iodo-5-methoxyphenyl)thio]-9-[2-(2-methylprop-2-enylamino)ethyl]-6-purinamine IUPAC Name: 8-(2-iodo-5-methoxyphenyl)sulfanyl-9-[2-(2-methylprop-2-enylamino)ethyl]purin-6-amine Traditional Name: 2-[6-amino-8-[(2-iodo-5-methoxy-phenyl)thio]purin-9-yl]ethyl-(2-methylallyl)amine Formula: C18H21IN6OS MolecularWeight: 496.36841

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I

Isomeric SMILES

CC(=C)CNCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I

InChI

InChI=1S/C18H21IN6OS/c1-11(2)9-21-6-7-25-17-15(16(20)22-10-23-17)24-18(25)27-14-8-12(26-3)4-5-13(14)19/h4-5,8,10,21H,1,6-7,9H2,2-3H3,(H2,20,22,23)