4-[[5-chloranyl-2,6-bis(fluoranyl)pyrimidin-4-yl]amino]-2-methyl-benzenesulfonic acid

Systemtic Name: 4-[[5-chloranyl-2,6-bis(fluoranyl)pyrimidin-4-yl]amino]-2-methyl-benzenesulfonic acid Openeye Name: 4-[(5-chloro-2,6-difluoro-pyrimidin-4-yl)amino]-2-methyl-benzenesulfonic acid CAS Name: 4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-methylbenzenesulfonic acid IUPAC Name: 4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-methylbenzenesulfonic acid Traditional Name: 4-[(5-chloro-2,6-difluoro-pyrimidin-4-yl)amino]-2-methyl-besylic acid Formula: C11H8ClF2N3O3S MolecularWeight: 335.714326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=C(C(=NC(=N2)F)F)Cl)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=C(C(=NC(=N2)F)F)Cl)S(=O)(=O)O

InChI

InChI=1S/C11H8ClF2N3O3S/c1-5-4-6(2-3-7(5)21(18,19)20)15-10-8(12)9(13)16-11(14)17-10/h2-4H,1H3,(H,15,16,17)(H,18,19,20)