4-[4-[(4-bromophenyl)amino]-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide

Systemtic Name: 4-[4-[(4-bromophenyl)amino]-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide Openeye Name: 4-[4-(4-bromoanilino)-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide CAS Name: 4-[4-(4-bromoanilino)-5-phenyl-7-pyrrolo[2,3-d]pyrimidinyl]benzenesulfonamide IUPAC Name: 4-[4-(4-bromoanilino)-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide Traditional Name: 4-[4-(4-bromoanilino)-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide Formula: C24H18BrN5O2S MolecularWeight: 520.40102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(C3=C2C(=NC=N3)NC4=CC=C(C=C4)Br)C5=CC=C(C=C5)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(C3=C2C(=NC=N3)NC4=CC=C(C=C4)Br)C5=CC=C(C=C5)S(=O)(=O)N

InChI

InChI=1S/C24H18BrN5O2S/c25-17-6-8-18(9-7-17)29-23-22-21(16-4-2-1-3-5-16)14-30(24(22)28-15-27-23)19-10-12-20(13-11-19)33(26,31)32/h1-15H,(H2,26,31,32)(H,27,28,29)