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

Systemtic Name: N-[4-(4-azanyl-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluoranyl-phenyl]-2-bromanyl-benzenesulfonamide Openeye Name: N-[4-(4-amino-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluoro-phenyl]-2-bromo-benzenesulfonamide CAS Name: N-[4-(4-amino-7-cyclopentyl-5-pyrrolo[2,3-d]pyrimidinyl)-2-fluorophenyl]-2-bromobenzenesulfonamide IUPAC Name: N-[4-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-2-bromobenzenesulfonamide Traditional Name: N-[4-(4-amino-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluoro-phenyl]-2-bromo-benzenesulfonamide Formula: C23H21BrFN5O2S MolecularWeight: 530.412543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=C(C3=C2N=CN=C3N)C4=CC(=C(C=C4)NS(=O)(=O)C5=CC=CC=C5Br)F

Isomeric SMILES

C1CCC(C1)N2C=C(C3=C2N=CN=C3N)C4=CC(=C(C=C4)NS(=O)(=O)C5=CC=CC=C5Br)F

InChI

InChI=1S/C23H21BrFN5O2S/c24-17-7-3-4-8-20(17)33(31,32)29-19-10-9-14(11-18(19)25)16-12-30(15-5-1-2-6-15)23-21(16)22(26)27-13-28-23/h3-4,7-13,15,29H,1-2,5-6H2,(H2,26,27,28)