9-[2-(2,2-dimethylpropylamino)ethyl]-8-[(2-iodanyl-5-methoxy-phenyl)methyl]purin-6-amine

Systemtic Name: 9-[2-(2,2-dimethylpropylamino)ethyl]-8-[(2-iodanyl-5-methoxy-phenyl)methyl]purin-6-amine Openeye Name: 9-[2-(2,2-dimethylpropylamino)ethyl]-8-[(2-iodo-5-methoxy-phenyl)methyl]purin-6-amine CAS Name: 9-[2-(2,2-dimethylpropylamino)ethyl]-8-[(2-iodo-5-methoxyphenyl)methyl]-6-purinamine IUPAC Name: 9-[2-(2,2-dimethylpropylamino)ethyl]-8-[(2-iodo-5-methoxyphenyl)methyl]purin-6-amine Traditional Name: 2-[6-amino-8-(2-iodo-5-methoxy-benzyl)purin-9-yl]ethyl-neopentyl-amine Formula: C20H27IN6O MolecularWeight: 494.37245

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNCCN1C(=NC2=C1N=CN=C2N)CC3=C(C=CC(=C3)OC)I

Isomeric SMILES

CC(C)(C)CNCCN1C(=NC2=C1N=CN=C2N)CC3=C(C=CC(=C3)OC)I

InChI

InChI=1S/C20H27IN6O/c1-20(2,3)11-23-7-8-27-16(26-17-18(22)24-12-25-19(17)27)10-13-9-14(28-4)5-6-15(13)21/h5-6,9,12,23H,7-8,10-11H2,1-4H3,(H2,22,24,25)