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

Systemtic Name: 3-[[4-[(4-tert-butylphenyl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[4-(4-tert-butylanilino)-5-fluoro-pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[4-(4-tert-butylanilino)-5-fluoro-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[4-(4-tert-butylanilino)-5-fluoropyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[4-(4-tert-butylanilino)-5-fluoro-pyrimidin-2-yl]amino]benzenesulfonamide Formula: C20H22FN5O2S MolecularWeight: 415.484383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC2=NC(=NC=C2F)NC3=CC(=CC=C3)S(=O)(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC2=NC(=NC=C2F)NC3=CC(=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C20H22FN5O2S/c1-20(2,3)13-7-9-14(10-8-13)24-18-17(21)12-23-19(26-18)25-15-5-4-6-16(11-15)29(22,27)28/h4-12H,1-3H3,(H2,22,27,28)(H2,23,24,25,26)