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

Systemtic Name: 2-chloranyl-9-cyclopentyl-N-[(3-iodanylphenyl)methyl]purin-6-amine Openeye Name: 2-chloro-9-cyclopentyl-N-[(3-iodophenyl)methyl]purin-6-amine CAS Name: 2-chloro-9-cyclopentyl-N-[(3-iodophenyl)methyl]-6-purinamine IUPAC Name: 2-chloro-9-cyclopentyl-N-[(3-iodophenyl)methyl]purin-6-amine Traditional Name: (2-chloro-9-cyclopentyl-purin-6-yl)-(3-iodobenzyl)amine Formula: C17H17ClIN5 MolecularWeight: 453.70785

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=CC(=CC=C4)I)Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=CC(=CC=C4)I)Cl

InChI

InChI=1S/C17H17ClIN5/c18-17-22-15(20-9-11-4-3-5-12(19)8-11)14-16(23-17)24(10-21-14)13-6-1-2-7-13/h3-5,8,10,13H,1-2,6-7,9H2,(H,20,22,23)