disodium 5-[(4-sulfanyl-6-sulfanylidene-1H-pyrimidin-2-yl)amino]-2-[4-[(4-sulfanyl-6-sulfanylidene-1H-pyrimidin-2-yl)amino]-2-sulfonato-phenyl]benzenesulfonate

Systemtic Name: disodium 5-[(4-sulfanyl-6-sulfanylidene-1H-pyrimidin-2-yl)amino]-2-[4-[(4-sulfanyl-6-sulfanylidene-1H-pyrimidin-2-yl)amino]-2-sulfonato-phenyl]benzenesulfonate Openeye Name: disodium 5-[(4-sulfanyl-6-thioxo-1H-pyrimidin-2-yl)amino]-2-[4-[(4-sulfanyl-6-thioxo-1H-pyrimidin-2-yl)amino]-2-sulfonato-phenyl]benzenesulfonate CAS Name: disodium 5-[(4-mercapto-6-sulfanylidene-1H-pyrimidin-2-yl)amino]-2-[4-[(4-mercapto-6-sulfanylidene-1H-pyrimidin-2-yl)amino]-2-sulfonatophenyl]benzenesulfonate IUPAC Name: disodium 5-[(4-sulfanyl-6-sulfanylidene-1H-pyrimidin-2-yl)amino]-2-[4-[(4-sulfanyl-6-sulfanylidene-1H-pyrimidin-2-yl)amino]-2-sulfonatophenyl]benzenesulfonate Traditional Name: disodium 5-[(4-mercapto-6-thioxo-1H-pyrimidin-2-yl)amino]-2-[4-[(4-mercapto-6-thioxo-1H-pyrimidin-2-yl)amino]-2-sulfonato-phenyl]besylate Formula: C20H14N6Na2O6S6 MolecularWeight: 672.7313

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=NC(=CC(=S)N2)S)S(=O)(=O)[O-])C3=C(C=C(C=C3)NC4=NC(=CC(=S)N4)S)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1NC2=NC(=CC(=S)N2)S)S(=O)(=O)[O-])C3=C(C=C(C=C3)NC4=NC(=CC(=S)N4)S)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H16N6O6S6.2Na/c27-37(28,29)13-5-9(21-19-23-15(33)7-16(34)24-19)1-3-11(13)12-4-2-10(6-14(12)38(30,31)32)22-20-25-17(35)8-18(36)26-20;;/h1-8H,(H,27,28,29)(H,30,31,32)(H3,21,23,24,33,34)(H3,22,25,26,35,36);;/q;2*+1/p-2