N-[(2-chlorophenyl)methyl]-9-cyclopentyl-purin-8-amine dihydrochloride

Systemtic Name: N-[(2-chlorophenyl)methyl]-9-cyclopentyl-purin-8-amine dihydrochloride Openeye Name: N-[(2-chlorophenyl)methyl]-9-cyclopentyl-purin-8-amine dihydrochloride CAS Name: N-[(2-chlorophenyl)methyl]-9-cyclopentyl-8-purinamine dihydrochloride IUPAC Name: N-[(2-chlorophenyl)methyl]-9-cyclopentylpurin-8-amine dihydrochloride Traditional Name: (2-chlorobenzyl)-(9-cyclopentylpurin-8-yl)amine dihydrochloride Formula: C17H20Cl3N5 MolecularWeight: 400.7332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=NC=NC=C3N=C2NCC4=CC=CC=C4Cl.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C3=NC=NC=C3N=C2NCC4=CC=CC=C4Cl.Cl.Cl

InChI

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