8-(2-chlorophenyl)-9-(4-fluorophenyl)-2-(oxan-4-yl)purine-2,8-diamine

Systemtic Name: 8-(2-chlorophenyl)-9-(4-fluorophenyl)-2-(oxan-4-yl)purine-2,8-diamine Openeye Name: 8-(2-chlorophenyl)-9-(4-fluorophenyl)-2-tetrahydropyran-4-yl-purine-2,8-diamine CAS Name: 8-(2-chlorophenyl)-9-(4-fluorophenyl)-2-(4-oxanyl)purine-2,8-diamine IUPAC Name: 8-(2-chlorophenyl)-9-(4-fluorophenyl)-2-(oxan-4-yl)purine-2,8-diamine Traditional Name: [2-amino-8-(2-chlorophenyl)-9-(4-fluorophenyl)-2-tetrahydropyran-4-yl-purin-8-yl]amine Formula: C22H22ClFN6O MolecularWeight: 440.901083

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C2(N=CC3=NC(N(C3=N2)C4=CC=C(C=C4)F)(C5=CC=CC=C5Cl)N)N

Isomeric SMILES

C1COCCC1C2(N=CC3=NC(N(C3=N2)C4=CC=C(C=C4)F)(C5=CC=CC=C5Cl)N)N

InChI

InChI=1S/C22H22ClFN6O/c23-18-4-2-1-3-17(18)22(26)28-19-13-27-21(25,14-9-11-31-12-10-14)29-20(19)30(22)16-7-5-15(24)6-8-16/h1-8,13-14H,9-12,25-26H2