disodium 6-azanylidene-5-[2-[5-[[[5-chloranyl-2,6-bis(fluoranyl)pyrimidin-4-yl]-methyl-amino]methyl]-2-sulfonato-phenyl]hydrazinyl]-4-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: disodium 6-azanylidene-5-[2-[5-[[[5-chloranyl-2,6-bis(fluoranyl)pyrimidin-4-yl]-methyl-amino]methyl]-2-sulfonato-phenyl]hydrazinyl]-4-oxidanylidene-naphthalene-2-sulfonate Openeye Name: disodium 5-[2-[5-[[(5-chloro-2,6-difluoro-pyrimidin-4-yl)-methyl-amino]methyl]-2-sulfonato-phenyl]hydrazino]-6-imino-4-oxo-naphthalene-2-sulfonate CAS Name: disodium 5-[[5-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)-methylamino]methyl]-2-sulfonatophenyl]hydrazo]-6-imino-4-oxo-2-naphthalenesulfonate IUPAC Name: disodium 5-[2-[5-[[(5-chloro-2,6-difluoropyrimidin-4-yl)-methylamino]methyl]-2-sulfonatophenyl]hydrazinyl]-6-imino-4-oxonaphthalene-2-sulfonate Traditional Name: disodium 5-[N'-[5-[[(5-chloro-2,6-difluoro-pyrimidin-4-yl)-methyl-amino]methyl]-2-sulfonato-phenyl]hydrazino]-6-imino-4-keto-naphthalene-2-sulfonate Formula: C22H15ClF2N6Na2O7S2 MolecularWeight: 658.949846

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)S(=O)(=O)[O-])NNC2=C3C(=CC(=CC3=O)S(=O)(=O)[O-])C=CC2=N)C4=C(C(=NC(=N4)F)F)Cl.[Na+].[Na+]

Isomeric SMILES

CN(CC1=CC(=C(C=C1)S(=O)(=O)[O-])NNC2=C3C(=CC(=CC3=O)S(=O)(=O)[O-])C=CC2=N)C4=C(C(=NC(=N4)F)F)Cl.[Na+].[Na+]

InChI

InChI=1S/C22H17ClF2N6O7S2.2Na/c1-31(21-18(23)20(24)27-22(25)28-21)9-10-2-5-16(40(36,37)38)14(6-10)29-30-19-13(26)4-3-11-7-12(39(33,34)35)8-15(32)17(11)19;;/h2-8,26,29-30H,9H2,1H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2