9-(3-azanylpropyl)-8-(2-chlorophenyl)-N-[(2-fluorophenyl)methyl]purin-2-amine

Systemtic Name: 9-(3-azanylpropyl)-8-(2-chlorophenyl)-N-[(2-fluorophenyl)methyl]purin-2-amine Openeye Name: 9-(3-aminopropyl)-8-(2-chlorophenyl)-N-[(2-fluorophenyl)methyl]purin-2-amine CAS Name: 9-(3-aminopropyl)-8-(2-chlorophenyl)-N-[(2-fluorophenyl)methyl]-2-purinamine IUPAC Name: 9-(3-aminopropyl)-8-(2-chlorophenyl)-N-[(2-fluorophenyl)methyl]purin-2-amine Traditional Name: [9-(3-aminopropyl)-8-(2-chlorophenyl)purin-2-yl]-(2-fluorobenzyl)amine Formula: C21H20ClFN6 MolecularWeight: 410.875103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=NC=C3C(=N2)N(C(=N3)C4=CC=CC=C4Cl)CCCN)F

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=NC=C3C(=N2)N(C(=N3)C4=CC=CC=C4Cl)CCCN)F

InChI

InChI=1S/C21H20ClFN6/c22-16-8-3-2-7-15(16)19-27-18-13-26-21(28-20(18)29(19)11-5-10-24)25-12-14-6-1-4-9-17(14)23/h1-4,6-9,13H,5,10-12,24H2,(H,25,26,28)