4-[[4-[(2-fluoranyl-5-methyl-phenyl)amino]pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[4-[(2-fluoranyl-5-methyl-phenyl)amino]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 4-[[4-(2-fluoro-5-methyl-anilino)pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 4-[[4-(2-fluoro-5-methylanilino)-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[4-(2-fluoro-5-methylanilino)pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 4-[[4-(2-fluoro-5-methyl-anilino)pyrimidin-2-yl]amino]benzenesulfonamide Formula: C17H16FN5O2S MolecularWeight: 373.404643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)F)NC2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)F)NC2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H16FN5O2S/c1-11-2-7-14(18)15(10-11)22-16-8-9-20-17(23-16)21-12-3-5-13(6-4-12)26(19,24)25/h2-10H,1H3,(H2,19,24,25)(H2,20,21,22,23)