disodium 4-[[2-(aminocarbonylamino)-4-[[5-chloranyl-2,6-bis(fluoranyl)pyrimidin-4-yl]amino]phenyl]diazenyl]benzene-1,3-disulfonate

Systemtic Name: disodium 4-[[2-(aminocarbonylamino)-4-[[5-chloranyl-2,6-bis(fluoranyl)pyrimidin-4-yl]amino]phenyl]diazenyl]benzene-1,3-disulfonate Openeye Name: disodium 4-[4-[(5-chloro-2,6-difluoro-pyrimidin-4-yl)amino]-2-ureido-phenyl]azobenzene-1,3-disulfonate CAS Name: disodium 4-[2-(carbamoylamino)-4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]phenyl]azobenzene-1,3-disulfonate IUPAC Name: disodium 4-[[2-(carbamoylamino)-4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]phenyl]diazenyl]benzene-1,3-disulfonate Traditional Name: disodium 4-[4-[(5-chloro-2,6-difluoro-pyrimidin-4-yl)amino]-2-ureido-phenyl]azobenzene-1,3-disulfonate Formula: C17H10ClF2N7Na2O7S2 MolecularWeight: 607.863346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C(C(=NC(=N2)F)F)Cl)NC(=O)N)N=NC3=C(C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C(=NC(=N2)F)F)Cl)NC(=O)N)N=NC3=C(C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C17H12ClF2N7O7S2.2Na/c18-13-14(19)24-16(20)25-15(13)22-7-1-3-9(11(5-7)23-17(21)28)26-27-10-4-2-8(35(29,30)31)6-12(10)36(32,33)34;;/h1-6H,(H3,21,23,28)(H,22,24,25)(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2