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

Systemtic Name: 2-azanyl-4-[[5,6-bis(fluoranyl)pyrimidin-4-yl]amino]benzenesulfonic acid Openeye Name: 2-amino-4-[(5,6-difluoropyrimidin-4-yl)amino]benzenesulfonic acid CAS Name: 2-amino-4-[(5,6-difluoro-4-pyrimidinyl)amino]benzenesulfonic acid IUPAC Name: 2-amino-4-[(5,6-difluoropyrimidin-4-yl)amino]benzenesulfonic acid Traditional Name: 2-amino-4-[(5,6-difluoropyrimidin-4-yl)amino]besylic acid Formula: C10H8F2N4O3S MolecularWeight: 302.257326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8F2N4O3S/c11-8-9(12)14-4-15-10(8)16-5-1-2-7(6(13)3-5)20(17,18)19/h1-4H,13H2,(H,14,15,16)(H,17,18,19)