N-[(4-chlorophenyl)methyl]-9-cyclopentyl-purin-8-amine dihydrochloride

Systemtic Name: N-[(4-chlorophenyl)methyl]-9-cyclopentyl-purin-8-amine dihydrochloride Openeye Name: N-[(4-chlorophenyl)methyl]-9-cyclopentyl-purin-8-amine dihydrochloride CAS Name: N-[(4-chlorophenyl)methyl]-9-cyclopentyl-8-purinamine dihydrochloride IUPAC Name: N-[(4-chlorophenyl)methyl]-9-cyclopentylpurin-8-amine dihydrochloride Traditional Name: (4-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=C(C=C4)Cl.Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN5.2ClH/c18-13-7-5-12(6-8-13)9-20-17-22-15-10-19-11-21-16(15)23(17)14-3-1-2-4-14;;/h5-8,10-11,14H,1-4,9H2,(H,20,22);2*1H