2-chloranyl-N-[9-(4-fluorophenyl)-2-(oxan-4-ylamino)purin-8-yl]benzamide

Systemtic Name: 2-chloranyl-N-[9-(4-fluorophenyl)-2-(oxan-4-ylamino)purin-8-yl]benzamide Openeye Name: 2-chloro-N-[9-(4-fluorophenyl)-2-(tetrahydropyran-4-ylamino)purin-8-yl]benzamide CAS Name: 2-chloro-N-[9-(4-fluorophenyl)-2-(4-oxanylamino)-8-purinyl]benzamide IUPAC Name: 2-chloro-N-[9-(4-fluorophenyl)-2-(oxan-4-ylamino)purin-8-yl]benzamide Traditional Name: 2-chloro-N-[9-(4-fluorophenyl)-2-(tetrahydropyran-4-ylamino)purin-8-yl]benzamide Formula: C23H20ClFN6O2 MolecularWeight: 466.895303

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1NC2=NC=C3C(=N2)N(C(=N3)NC(=O)C4=CC=CC=C4Cl)C5=CC=C(C=C5)F

Isomeric SMILES

C1COCCC1NC2=NC=C3C(=N2)N(C(=N3)NC(=O)C4=CC=CC=C4Cl)C5=CC=C(C=C5)F

InChI

InChI=1S/C23H20ClFN6O2/c24-18-4-2-1-3-17(18)21(32)30-23-28-19-13-26-22(27-15-9-11-33-12-10-15)29-20(19)31(23)16-7-5-14(25)6-8-16/h1-8,13,15H,9-12H2,(H,26,27,29)(H,28,30,32)