N-[4-[4-azanyl-7-(4-oxidanylidenecyclohexyl)pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoranyl-phenyl]-2,3-bis(chloranyl)benzenesulfonamide

Systemtic Name: N-[4-[4-azanyl-7-(4-oxidanylidenecyclohexyl)pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoranyl-phenyl]-2,3-bis(chloranyl)benzenesulfonamide Openeye Name: N-[4-[4-amino-7-(4-oxocyclohexyl)pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoro-phenyl]-2,3-dichloro-benzenesulfonamide CAS Name: N-[4-[4-amino-7-(4-oxocyclohexyl)-5-pyrrolo[2,3-d]pyrimidinyl]-2-fluorophenyl]-2,3-dichlorobenzenesulfonamide IUPAC Name: N-[4-[4-amino-7-(4-oxocyclohexyl)pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluorophenyl]-2,3-dichlorobenzenesulfonamide Traditional Name: N-[4-[4-amino-7-(4-ketocyclohexyl)pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoro-phenyl]-2,3-dichloro-benzenesulfonamide Formula: C24H20Cl2FN5O3S MolecularWeight: 548.416703

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CCC1N2C=C(C3=C2N=CN=C3N)C4=CC(=C(C=C4)NS(=O)(=O)C5=C(C(=CC=C5)Cl)Cl)F

Isomeric SMILES

C1CC(=O)CCC1N2C=C(C3=C2N=CN=C3N)C4=CC(=C(C=C4)NS(=O)(=O)C5=C(C(=CC=C5)Cl)Cl)F

InChI

InChI=1S/C24H20Cl2FN5O3S/c25-17-2-1-3-20(22(17)26)36(34,35)31-19-9-4-13(10-18(19)27)16-11-32(14-5-7-15(33)8-6-14)24-21(16)23(28)29-12-30-24/h1-4,9-12,14,31H,5-8H2,(H2,28,29,30)