8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-9-[3-(pentan-3-ylamino)propyl]purin-6-amine

Systemtic Name: 8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-9-[3-(pentan-3-ylamino)propyl]purin-6-amine Openeye Name: 9-[3-(1-ethylpropylamino)propyl]-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-6-amine CAS Name: 8-[(2-iodo-5-methoxyphenyl)thio]-9-[3-(pentan-3-ylamino)propyl]-6-purinamine IUPAC Name: 8-(2-iodo-5-methoxyphenyl)sulfanyl-9-[3-(pentan-3-ylamino)propyl]purin-6-amine Traditional Name: 3-[6-amino-8-[(2-iodo-5-methoxy-phenyl)thio]purin-9-yl]propyl-(1-ethylpropyl)amine Formula: C20H27IN6OS MolecularWeight: 526.43745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NCCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I

Isomeric SMILES

CCC(CC)NCCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I

InChI

InChI=1S/C20H27IN6OS/c1-4-13(5-2)23-9-6-10-27-19-17(18(22)24-12-25-19)26-20(27)29-16-11-14(28-3)7-8-15(16)21/h7-8,11-13,23H,4-6,9-10H2,1-3H3,(H2,22,24,25)