bis(pyrimidin-2-ylamino) 6-phenylcyclohexa-2,4-diene-1,1-disulfonate

Systemtic Name: bis(pyrimidin-2-ylamino) 6-phenylcyclohexa-2,4-diene-1,1-disulfonate Openeye Name: bis(pyrimidin-2-ylamino) 6-phenylcyclohexa-2,4-diene-1,1-disulfonate CAS Name: 6-phenylcyclohexa-2,4-diene-1,1-disulfonic acid bis(2-pyrimidinylamino) ester IUPAC Name: bis(pyrimidin-2-ylamino) 6-phenylcyclohexa-2,4-diene-1,1-disulfonate Traditional Name: 6-phenylcyclohexa-2,4-diene-1,1-disulfonic acid bis(2-pyrimidylamino) ester Formula: C20H18N6O6S2 MolecularWeight: 502.52352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C=CC=CC2(S(=O)(=O)ONC3=NC=CC=N3)S(=O)(=O)ONC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C2C=CC=CC2(S(=O)(=O)ONC3=NC=CC=N3)S(=O)(=O)ONC4=NC=CC=N4

InChI

InChI=1S/C20H18N6O6S2/c27-33(28,31-25-18-21-12-6-13-22-18)20(34(29,30)32-26-19-23-14-7-15-24-19)11-5-4-10-17(20)16-8-2-1-3-9-16/h1-15,17H,(H,21,22,25)(H,23,24,26)