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

Systemtic Name: 5-[[4-(1-benzothiophen-5-ylamino)-5-fluoranyl-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide Openeye Name: 5-[[4-(benzothiophen-5-ylamino)-5-fluoro-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide CAS Name: 5-[[4-(1-benzothiophen-5-ylamino)-5-fluoro-2-pyrimidinyl]amino]-2-methylbenzenesulfonamide IUPAC Name: 5-[[4-(1-benzothiophen-5-ylamino)-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide Traditional Name: 5-[[4-(benzothiophen-5-ylamino)-5-fluoro-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide Formula: C19H16FN5O2S2 MolecularWeight: 429.491043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)SC=C4)F)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)SC=C4)F)S(=O)(=O)N

InChI

InChI=1S/C19H16FN5O2S2/c1-11-2-3-14(9-17(11)29(21,26)27)24-19-22-10-15(20)18(25-19)23-13-4-5-16-12(8-13)6-7-28-16/h2-10H,1H3,(H2,21,26,27)(H2,22,23,24,25)