2-chloranyl-N-[(3-iodanylphenyl)methyl]-9-pentan-3-yl-purin-6-amine

Systemtic Name: 2-chloranyl-N-[(3-iodanylphenyl)methyl]-9-pentan-3-yl-purin-6-amine Openeye Name: 2-chloro-9-(1-ethylpropyl)-N-[(3-iodophenyl)methyl]purin-6-amine CAS Name: 2-chloro-N-[(3-iodophenyl)methyl]-9-pentan-3-yl-6-purinamine IUPAC Name: 2-chloro-N-[(3-iodophenyl)methyl]-9-pentan-3-ylpurin-6-amine Traditional Name: [2-chloro-9-(1-ethylpropyl)purin-6-yl]-(3-iodobenzyl)amine Formula: C17H19ClIN5 MolecularWeight: 455.72373

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C=NC2=C1N=C(N=C2NCC3=CC(=CC=C3)I)Cl

Isomeric SMILES

CCC(CC)N1C=NC2=C1N=C(N=C2NCC3=CC(=CC=C3)I)Cl

InChI

InChI=1S/C17H19ClIN5/c1-3-13(4-2)24-10-21-14-15(22-17(18)23-16(14)24)20-9-11-6-5-7-12(19)8-11/h5-8,10,13H,3-4,9H2,1-2H3,(H,20,22,23)