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

Systemtic Name: 9-cyclopentyl-N-[(2-fluorophenyl)methyl]purin-2-amine dihydrochloride Openeye Name: 9-cyclopentyl-N-[(2-fluorophenyl)methyl]purin-2-amine dihydrochloride CAS Name: 9-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-purinamine dihydrochloride IUPAC Name: 9-cyclopentyl-N-[(2-fluorophenyl)methyl]purin-2-amine dihydrochloride Traditional Name: (9-cyclopentylpurin-2-yl)-(2-fluorobenzyl)amine dihydrochloride Formula: C17H20Cl2FN5 MolecularWeight: 384.278603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=CN=C(N=C32)NCC4=CC=CC=C4F.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=CN=C(N=C32)NCC4=CC=CC=C4F.Cl.Cl

InChI

InChI=1S/C17H18FN5.2ClH/c18-14-8-4-1-5-12(14)9-19-17-20-10-15-16(22-17)23(11-21-15)13-6-2-3-7-13;;/h1,4-5,8,10-11,13H,2-3,6-7,9H2,(H,19,20,22);2*1H