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

Systemtic Name: bis(pyrimidin-4-ylamino) 6-phenylcyclohexa-2,4-diene-1,1-disulfonate Openeye Name: bis(pyrimidin-4-ylamino) 6-phenylcyclohexa-2,4-diene-1,1-disulfonate CAS Name: 6-phenylcyclohexa-2,4-diene-1,1-disulfonic acid bis(4-pyrimidinylamino) ester IUPAC Name: bis(pyrimidin-4-ylamino) 6-phenylcyclohexa-2,4-diene-1,1-disulfonate Traditional Name: 6-phenylcyclohexa-2,4-diene-1,1-disulfonic acid bis(4-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=NC=C3)S(=O)(=O)ONC4=NC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2C=CC=CC2(S(=O)(=O)ONC3=NC=NC=C3)S(=O)(=O)ONC4=NC=NC=C4

InChI

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