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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I

Isomeric SMILES

CCC(C)NCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I

InChI

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