4-[[4-[(3,4-dimethoxyphenyl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-methoxy-N-methyl-benzenesulfonamide

Systemtic Name: 4-[[4-[(3,4-dimethoxyphenyl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-methoxy-N-methyl-benzenesulfonamide Openeye Name: 4-[[4-(3,4-dimethoxyanilino)-5-fluoro-pyrimidin-2-yl]amino]-2-methoxy-N-methyl-benzenesulfonamide CAS Name: 4-[[4-(3,4-dimethoxyanilino)-5-fluoro-2-pyrimidinyl]amino]-2-methoxy-N-methylbenzenesulfonamide IUPAC Name: 4-[[4-(3,4-dimethoxyanilino)-5-fluoropyrimidin-2-yl]amino]-2-methoxy-N-methylbenzenesulfonamide Traditional Name: 4-[[4-(3,4-dimethoxyanilino)-5-fluoro-pyrimidin-2-yl]amino]-2-methoxy-N-methyl-benzenesulfonamide Formula: C20H22FN5O5S MolecularWeight: 463.482583

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC(=C(C=C3)OC)OC)F)OC

Isomeric SMILES

CNS(=O)(=O)C1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC(=C(C=C3)OC)OC)F)OC

InChI

InChI=1S/C20H22FN5O5S/c1-22-32(27,28)18-8-6-13(10-17(18)31-4)25-20-23-11-14(21)19(26-20)24-12-5-7-15(29-2)16(9-12)30-3/h5-11,22H,1-4H3,(H2,23,24,25,26)