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

Systemtic Name: 5-[[4-[(4-tert-butylphenyl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide Openeye Name: 5-[[4-(4-tert-butylanilino)-5-fluoro-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide CAS Name: 5-[[4-(4-tert-butylanilino)-5-fluoro-2-pyrimidinyl]amino]-2-methylbenzenesulfonamide IUPAC Name: 5-[[4-(4-tert-butylanilino)-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide Traditional Name: 5-[[4-(4-tert-butylanilino)-5-fluoro-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide Formula: C21H24FN5O2S MolecularWeight: 429.510963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)C(C)(C)C)F)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)C(C)(C)C)F)S(=O)(=O)N

InChI

InChI=1S/C21H24FN5O2S/c1-13-5-8-16(11-18(13)30(23,28)29)26-20-24-12-17(22)19(27-20)25-15-9-6-14(7-10-15)21(2,3)4/h5-12H,1-4H3,(H2,23,28,29)(H2,24,25,26,27)