2-azanyl-4-[[5-chloranyl-2,6-bis(fluoranyl)pyrimidin-1-ium-1-yl]amino]benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[[5-chloranyl-2,6-bis(fluoranyl)pyrimidin-1-ium-1-yl]amino]benzenesulfonic acid Openeye Name: 2-amino-4-[(5-chloro-2,6-difluoro-pyrimidin-1-ium-1-yl)amino]benzenesulfonic acid CAS Name: 2-amino-4-[(5-chloro-2,6-difluoro-1-pyrimidin-1-iumyl)amino]benzenesulfonic acid IUPAC Name: 2-amino-4-[(5-chloro-2,6-difluoropyrimidin-1-ium-1-yl)amino]benzenesulfonic acid Traditional Name: 2-amino-4-[(5-chloro-2,6-difluoro-pyrimidin-1-ium-1-yl)amino]besylic acid Formula: C10H8ClF2N4O3S+ MolecularWeight: 337.710326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N[N+]2=C(C(=CN=C2F)Cl)F)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N[N+]2=C(C(=CN=C2F)Cl)F)N)S(=O)(=O)O

InChI

InChI=1S/C10H7ClF2N4O3S/c11-6-4-15-10(13)17(9(6)12)16-5-1-2-8(7(14)3-5)21(18,19)20/h1-4,16H,14H2/p+1