4-[[4-azanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-2-[(5-chloranyl-6-fluoranyl-2-methylsulfonyl-pyrimidin-4-yl)amino]benzenesulfonic acid

Systemtic Name: 4-[[4-azanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-2-[(5-chloranyl-6-fluoranyl-2-methylsulfonyl-pyrimidin-4-yl)amino]benzenesulfonic acid Openeye Name: 4-[(4-amino-9,10-dioxo-1-anthryl)amino]-2-[(5-chloro-6-fluoro-2-methylsulfonyl-pyrimidin-4-yl)amino]benzenesulfonic acid CAS Name: 4-[(4-amino-9,10-dioxo-1-anthracenyl)amino]-2-[(5-chloro-6-fluoro-2-methylsulfonyl-4-pyrimidinyl)amino]benzenesulfonic acid IUPAC Name: 4-[(4-amino-9,10-dioxoanthracen-1-yl)amino]-2-[(5-chloro-6-fluoro-2-methylsulfonylpyrimidin-4-yl)amino]benzenesulfonic acid Traditional Name: 4-[(4-amino-9,10-diketo-1-anthryl)amino]-2-[(5-chloro-6-fluoro-2-mesyl-pyrimidin-4-yl)amino]besylic acid Formula: C25H17ClFN5O7S2 MolecularWeight: 618.013183

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC(=C(C(=N1)F)Cl)NC2=C(C=CC(=C2)NC3=C4C(=C(C=C3)N)C(=O)C5=CC=CC=C5C4=O)S(=O)(=O)O

Isomeric SMILES

CS(=O)(=O)C1=NC(=C(C(=N1)F)Cl)NC2=C(C=CC(=C2)NC3=C4C(=C(C=C3)N)C(=O)C5=CC=CC=C5C4=O)S(=O)(=O)O

InChI

InChI=1S/C25H17ClFN5O7S2/c1-40(35,36)25-31-23(27)20(26)24(32-25)30-16-10-11(6-9-17(16)41(37,38)39)29-15-8-7-14(28)18-19(15)22(34)13-5-3-2-4-12(13)21(18)33/h2-10,29H,28H2,1H3,(H,30,31,32)(H,37,38,39)