6-[(3-chlorophenyl)methyl]-9-cyclopentyl-purin-2-amine dihydrochloride

Systemtic Name: 6-[(3-chlorophenyl)methyl]-9-cyclopentyl-purin-2-amine dihydrochloride Openeye Name: 6-[(3-chlorophenyl)methyl]-9-cyclopentyl-purin-2-amine dihydrochloride CAS Name: 6-[(3-chlorophenyl)methyl]-9-cyclopentyl-2-purinamine dihydrochloride IUPAC Name: 6-[(3-chlorophenyl)methyl]-9-cyclopentylpurin-2-amine dihydrochloride Traditional Name: [6-(3-chlorobenzyl)-9-cyclopentyl-purin-2-yl]amine dihydrochloride Formula: C17H20Cl3N5 MolecularWeight: 400.7332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C(N=C(N=C32)N)CC4=CC(=CC=C4)Cl.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C(N=C(N=C32)N)CC4=CC(=CC=C4)Cl.Cl.Cl

InChI

InChI=1S/C17H18ClN5.2ClH/c18-12-5-3-4-11(8-12)9-14-15-16(22-17(19)21-14)23(10-20-15)13-6-1-2-7-13;;/h3-5,8,10,13H,1-2,6-7,9H2,(H2,19,21,22);2*1H