3-[[4-(1-benzothiophen-5-ylamino)-5-fluoranyl-pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 3-[[4-(1-benzothiophen-5-ylamino)-5-fluoranyl-pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[4-(benzothiophen-5-ylamino)-5-fluoro-pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[4-(1-benzothiophen-5-ylamino)-5-fluoro-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[4-(1-benzothiophen-5-ylamino)-5-fluoropyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[4-(benzothiophen-5-ylamino)-5-fluoro-pyrimidin-2-yl]amino]benzenesulfonamide Formula: C18H14FN5O2S2 MolecularWeight: 415.464463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)N)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)SC=C4)F

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)N)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)SC=C4)F

InChI

InChI=1S/C18H14FN5O2S2/c19-15-10-21-18(23-12-2-1-3-14(9-12)28(20,25)26)24-17(15)22-13-4-5-16-11(8-13)6-7-27-16/h1-10H,(H2,20,25,26)(H2,21,22,23,24)