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

Systemtic Name: 2-azanyl-4-[[5-chloranyl-2,6-bis(fluoranyl)pyrimidin-4-yl]amino]benzenesulfonic acid Openeye Name: 2-amino-4-[(5-chloro-2,6-difluoro-pyrimidin-4-yl)amino]benzenesulfonic acid CAS Name: 2-amino-4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]benzenesulfonic acid IUPAC Name: 2-amino-4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]benzenesulfonic acid Traditional Name: 2-amino-4-[(5-chloro-2,6-difluoro-pyrimidin-4-yl)amino]besylic acid Formula: C10H7ClF2N4O3S MolecularWeight: 336.702386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7ClF2N4O3S/c11-7-8(12)16-10(13)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)