disodium 3-[(4-sulfanyl-6-sulfanylidene-1H-pyrimidin-2-yl)amino]-6-[4-[(4-sulfanyl-6-sulfanylidene-1H-pyrimidin-2-yl)amino]phenyl]cyclohexa-2,4-diene-1,1-disulfonate

Systemtic Name: disodium 3-[(4-sulfanyl-6-sulfanylidene-1H-pyrimidin-2-yl)amino]-6-[4-[(4-sulfanyl-6-sulfanylidene-1H-pyrimidin-2-yl)amino]phenyl]cyclohexa-2,4-diene-1,1-disulfonate Openeye Name: disodium 3-[(4-sulfanyl-6-thioxo-1H-pyrimidin-2-yl)amino]-6-[4-[(4-sulfanyl-6-thioxo-1H-pyrimidin-2-yl)amino]phenyl]cyclohexa-2,4-diene-1,1-disulfonate CAS Name: disodium 3-[(4-mercapto-6-sulfanylidene-1H-pyrimidin-2-yl)amino]-6-[4-[(4-mercapto-6-sulfanylidene-1H-pyrimidin-2-yl)amino]phenyl]cyclohexa-2,4-diene-1,1-disulfonate IUPAC Name: disodium 3-[(4-sulfanyl-6-sulfanylidene-1H-pyrimidin-2-yl)amino]-6-[4-[(4-sulfanyl-6-sulfanylidene-1H-pyrimidin-2-yl)amino]phenyl]cyclohexa-2,4-diene-1,1-disulfonate Traditional Name: disodium 3-[(4-mercapto-6-thioxo-1H-pyrimidin-2-yl)amino]-6-[4-[(4-mercapto-6-thioxo-1H-pyrimidin-2-yl)amino]phenyl]cyclohexa-2,4-diene-1,1-disulfonate Formula: C20H16N6Na2O6S6 MolecularWeight: 674.74718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(C1C2=CC=C(C=C2)NC3=NC(=CC(=S)N3)S)(S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=NC(=CC(=S)N4)S.[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC(C1C2=CC=C(C=C2)NC3=NC(=CC(=S)N3)S)(S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=NC(=CC(=S)N4)S.[Na+].[Na+]

InChI

InChI=1S/C20H18N6O6S6.2Na/c27-37(28,29)20(38(30,31)32)9-12(22-19-25-16(35)8-17(36)26-19)5-6-13(20)10-1-3-11(4-2-10)21-18-23-14(33)7-15(34)24-18;;/h1-9,13H,(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