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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I)C4CC4

Isomeric SMILES

CN(CCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I)C4CC4

InChI

InChI=1S/C18H21IN6OS/c1-24(11-3-4-11)7-8-25-17-15(16(20)21-10-22-17)23-18(25)27-14-9-12(26-2)5-6-13(14)19/h5-6,9-11H,3-4,7-8H2,1-2H3,(H2,20,21,22)