9-(4-fluorophenyl)-N2-(oxan-4-yl)purine-2,8-diamine

Systemtic Name: 9-(4-fluorophenyl)-N2-(oxan-4-yl)purine-2,8-diamine Openeye Name: 9-(4-fluorophenyl)-N2-tetrahydropyran-4-yl-purine-2,8-diamine CAS Name: 9-(4-fluorophenyl)-N2-(4-oxanyl)purine-2,8-diamine IUPAC Name: 9-(4-fluorophenyl)-2-N-(oxan-4-yl)purine-2,8-diamine Traditional Name: [8-amino-9-(4-fluorophenyl)purin-2-yl]-tetrahydropyran-4-yl-amine Formula: C16H17FN6O MolecularWeight: 328.344183

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1NC2=NC=C3C(=N2)N(C(=N3)N)C4=CC=C(C=C4)F

Isomeric SMILES

C1COCCC1NC2=NC=C3C(=N2)N(C(=N3)N)C4=CC=C(C=C4)F

InChI

InChI=1S/C16H17FN6O/c17-10-1-3-12(4-2-10)23-14-13(21-15(23)18)9-19-16(22-14)20-11-5-7-24-8-6-11/h1-4,9,11H,5-8H2,(H2,18,21)(H,19,20,22)