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

Systemtic Name: 9-cyclopentyl-N-[(4-fluorophenyl)methyl]purin-8-amine dihydrochloride Openeye Name: 9-cyclopentyl-N-[(4-fluorophenyl)methyl]purin-8-amine dihydrochloride CAS Name: 9-cyclopentyl-N-[(4-fluorophenyl)methyl]-8-purinamine dihydrochloride IUPAC Name: 9-cyclopentyl-N-[(4-fluorophenyl)methyl]purin-8-amine dihydrochloride Traditional Name: (9-cyclopentylpurin-8-yl)-(4-fluorobenzyl)amine dihydrochloride Formula: C17H20Cl2FN5 MolecularWeight: 384.278603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18FN5.2ClH/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