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

Systemtic Name: 6-[(2-chlorophenyl)methyl]-9-cyclopentyl-purin-2-amine dihydrochloride Openeye Name: 6-[(2-chlorophenyl)methyl]-9-cyclopentyl-purin-2-amine dihydrochloride CAS Name: 6-[(2-chlorophenyl)methyl]-9-cyclopentyl-2-purinamine dihydrochloride IUPAC Name: 6-[(2-chlorophenyl)methyl]-9-cyclopentylpurin-2-amine dihydrochloride Traditional Name: [6-(2-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=C4Cl.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C(N=C(N=C32)N)CC4=CC=CC=C4Cl.Cl.Cl

InChI

InChI=1S/C17H18ClN5.2ClH/c18-13-8-4-1-5-11(13)9-14-15-16(22-17(19)21-14)23(10-20-15)12-6-2-3-7-12;;/h1,4-5,8,10,12H,2-3,6-7,9H2,(H2,19,21,22);2*1H