9-cyclopentyl-N-[(3-iodanylphenyl)methyl]purin-8-amine hydrochloride

Systemtic Name: 9-cyclopentyl-N-[(3-iodanylphenyl)methyl]purin-8-amine hydrochloride Openeye Name: 9-cyclopentyl-N-[(3-iodophenyl)methyl]purin-8-amine hydrochloride CAS Name: 9-cyclopentyl-N-[(3-iodophenyl)methyl]-8-purinamine hydrochloride IUPAC Name: 9-cyclopentyl-N-[(3-iodophenyl)methyl]purin-8-amine hydrochloride Traditional Name: (9-cyclopentylpurin-8-yl)-(3-iodobenzyl)amine hydrochloride Formula: C17H19ClIN5 MolecularWeight: 455.72373

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=NC=NC=C3N=C2NCC4=CC(=CC=C4)I.Cl

Isomeric SMILES

C1CCC(C1)N2C3=NC=NC=C3N=C2NCC4=CC(=CC=C4)I.Cl

InChI

InChI=1S/C17H18IN5.ClH/c18-13-5-3-4-12(8-13)9-20-17-22-15-10-19-11-21-16(15)23(17)14-6-1-2-7-14;/h3-5,8,10-11,14H,1-2,6-7,9H2,(H,20,22);1H