N-[(3-iodanylphenyl)methyl]-9-methyl-2-methylsulfanyl-purin-6-amine

Systemtic Name: N-[(3-iodanylphenyl)methyl]-9-methyl-2-methylsulfanyl-purin-6-amine Openeye Name: N-[(3-iodophenyl)methyl]-9-methyl-2-methylsulfanyl-purin-6-amine CAS Name: N-[(3-iodophenyl)methyl]-9-methyl-2-(methylthio)-6-purinamine IUPAC Name: N-[(3-iodophenyl)methyl]-9-methyl-2-methylsulfanylpurin-6-amine Traditional Name: (3-iodobenzyl)-[9-methyl-2-(methylthio)purin-6-yl]amine Formula: C14H14IN5S MolecularWeight: 411.26393

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1N=C(N=C2NCC3=CC(=CC=C3)I)SC

Isomeric SMILES

CN1C=NC2=C1N=C(N=C2NCC3=CC(=CC=C3)I)SC

InChI

InChI=1S/C14H14IN5S/c1-20-8-17-11-12(18-14(21-2)19-13(11)20)16-7-9-4-3-5-10(15)6-9/h3-6,8H,7H2,1-2H3,(H,16,18,19)