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

Systemtic Name: 9-[2-(butylamino)ethyl]-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-6-amine Openeye Name: 9-[2-(butylamino)ethyl]-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-6-amine CAS Name: 9-[2-(butylamino)ethyl]-8-[(2-iodo-5-methoxyphenyl)thio]-6-purinamine IUPAC Name: 9-[2-(butylamino)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-butyl-amine Formula: C18H23IN6OS MolecularWeight: 498.38429

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I

Isomeric SMILES

CCCCNCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I

InChI

InChI=1S/C18H23IN6OS/c1-3-4-7-21-8-9-25-17-15(16(20)22-11-23-17)24-18(25)27-14-10-12(26-2)5-6-13(14)19/h5-6,10-11,21H,3-4,7-9H2,1-2H3,(H2,20,22,23)