4-[[5-fluoranyl-4-(prop-2-ynylamino)pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[5-fluoranyl-4-(prop-2-ynylamino)pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 4-[[5-fluoro-4-(prop-2-ynylamino)pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 4-[[5-fluoro-4-(prop-2-ynylamino)-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[5-fluoro-4-(prop-2-ynylamino)pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 4-[[5-fluoro-4-(propargylamino)pyrimidin-2-yl]amino]benzenesulfonamide Formula: C13H12FN5O2S MolecularWeight: 321.330083

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=NC(=NC=C1F)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

C#CCNC1=NC(=NC=C1F)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C13H12FN5O2S/c1-2-7-16-12-11(14)8-17-13(19-12)18-9-3-5-10(6-4-9)22(15,20)21/h1,3-6,8H,7H2,(H2,15,20,21)(H2,16,17,18,19)