5-[[4-[(4-tert-butylphenyl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-methoxy-3-methyl-benzenesulfonamide

Systemtic Name: 5-[[4-[(4-tert-butylphenyl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-methoxy-3-methyl-benzenesulfonamide Openeye Name: 5-[[4-(4-tert-butylanilino)-5-fluoro-pyrimidin-2-yl]amino]-2-methoxy-3-methyl-benzenesulfonamide CAS Name: 5-[[4-(4-tert-butylanilino)-5-fluoro-2-pyrimidinyl]amino]-2-methoxy-3-methylbenzenesulfonamide IUPAC Name: 5-[[4-(4-tert-butylanilino)-5-fluoropyrimidin-2-yl]amino]-2-methoxy-3-methylbenzenesulfonamide Traditional Name: 5-[[4-(4-tert-butylanilino)-5-fluoro-pyrimidin-2-yl]amino]-2-methoxy-3-methyl-benzenesulfonamide Formula: C22H26FN5O3S MolecularWeight: 459.536943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)S(=O)(=O)N)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)C(C)(C)C)F

Isomeric SMILES

CC1=CC(=CC(=C1OC)S(=O)(=O)N)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)C(C)(C)C)F

InChI

InChI=1S/C22H26FN5O3S/c1-13-10-16(11-18(19(13)31-5)32(24,29)30)27-21-25-12-17(23)20(28-21)26-15-8-6-14(7-9-15)22(2,3)4/h6-12H,1-5H3,(H2,24,29,30)(H2,25,26,27,28)