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

Systemtic Name: 2-chloranyl-N-[9-(4-fluorophenyl)-2-(oxan-4-ylamino)purin-8-yl]benzenesulfonamide Openeye Name: 2-chloro-N-[9-(4-fluorophenyl)-2-(tetrahydropyran-4-ylamino)purin-8-yl]benzenesulfonamide CAS Name: 2-chloro-N-[9-(4-fluorophenyl)-2-(4-oxanylamino)-8-purinyl]benzenesulfonamide IUPAC Name: 2-chloro-N-[9-(4-fluorophenyl)-2-(oxan-4-ylamino)purin-8-yl]benzenesulfonamide Traditional Name: 2-chloro-N-[9-(4-fluorophenyl)-2-(tetrahydropyran-4-ylamino)purin-8-yl]benzenesulfonamide Formula: C22H20ClFN6O3S MolecularWeight: 502.949003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClFN6O3S/c23-17-3-1-2-4-19(17)34(31,32)29-22-27-18-13-25-21(26-15-9-11-33-12-10-15)28-20(18)30(22)16-7-5-14(24)6-8-16/h1-8,13,15H,9-12H2,(H,27,29)(H,25,26,28)