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

Systemtic Name: 2-azanyl-4-[[2,5-bis(chloranyl)-6-fluoranyl-pyrimidin-4-yl]amino]benzenesulfonic acid Openeye Name: 2-amino-4-[(2,5-dichloro-6-fluoro-pyrimidin-4-yl)amino]benzenesulfonic acid CAS Name: 2-amino-4-[(2,5-dichloro-6-fluoro-4-pyrimidinyl)amino]benzenesulfonic acid IUPAC Name: 2-amino-4-[(2,5-dichloro-6-fluoropyrimidin-4-yl)amino]benzenesulfonic acid Traditional Name: 2-amino-4-[(2,5-dichloro-6-fluoro-pyrimidin-4-yl)amino]besylic acid Formula: C10H7Cl2FN4O3S MolecularWeight: 353.156983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C(C(=NC(=N2)Cl)F)Cl)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C(=NC(=N2)Cl)F)Cl)N)S(=O)(=O)O

InChI

InChI=1S/C10H7Cl2FN4O3S/c11-7-8(13)16-10(12)17-9(7)15-4-1-2-6(5(14)3-4)21(18,19)20/h1-3H,14H2,(H,15,16,17)(H,18,19,20)