5,5-bis[[2,4-bis(sulfanylidene)-1H-pyrimidin-6-yl]amino]-2-phenyl-cyclohex-3-ene-1,1-disulfonic acid

Systemtic Name: 5,5-bis[[2,4-bis(sulfanylidene)-1H-pyrimidin-6-yl]amino]-2-phenyl-cyclohex-3-ene-1,1-disulfonic acid Openeye Name: 5,5-bis[(2,4-dithioxo-1H-pyrimidin-6-yl)amino]-2-phenyl-cyclohex-3-ene-1,1-disulfonic acid CAS Name: 5,5-bis[[2,4-bis(sulfanylidene)-1H-pyrimidin-6-yl]amino]-2-phenylcyclohex-3-ene-1,1-disulfonic acid IUPAC Name: 5,5-bis[[2,4-bis(sulfanylidene)-1H-pyrimidin-6-yl]amino]-2-phenylcyclohex-3-ene-1,1-disulfonic acid Traditional Name: 5,5-bis[(2,4-dithioxo-1H-pyrimidin-6-yl)amino]-2-phenyl-cyclohex-3-ene-1,1-disulfonic acid Formula: C20H20N6O6S6 MolecularWeight: 632.7994

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC(C1(S(=O)(=O)O)S(=O)(=O)O)C2=CC=CC=C2)(NC3=CC(=S)NC(=S)N3)NC4=CC(=S)NC(=S)N4

Isomeric SMILES

C1C(C=CC(C1(S(=O)(=O)O)S(=O)(=O)O)C2=CC=CC=C2)(NC3=CC(=S)NC(=S)N3)NC4=CC(=S)NC(=S)N4

InChI

InChI=1S/C20H20N6O6S6/c27-37(28,29)20(38(30,31)32)10-19(25-13-8-15(33)23-17(35)21-13,26-14-9-16(34)24-18(36)22-14)7-6-12(20)11-4-2-1-3-5-11/h1-9,12H,10H2,(H,27,28,29)(H,30,31,32)(H3,21,23,25,33,35)(H3,22,24,26,34,36)