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

Systemtic Name: bis(pyrimidin-2-ylamino) 6-phenethylcyclohexa-2,4-diene-1,1-disulfonate Openeye Name: bis(pyrimidin-2-ylamino) 6-phenethylcyclohexa-2,4-diene-1,1-disulfonate CAS Name: 6-phenethylcyclohexa-2,4-diene-1,1-disulfonic acid bis(2-pyrimidinylamino) ester IUPAC Name: bis(pyrimidin-2-ylamino) 6-phenethylcyclohexa-2,4-diene-1,1-disulfonate Traditional Name: 6-phenethylcyclohexa-2,4-diene-1,1-disulfonic acid bis(2-pyrimidylamino) ester Formula: C22H22N6O6S2 MolecularWeight: 530.57668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2C=CC=CC2(S(=O)(=O)ONC3=NC=CC=N3)S(=O)(=O)ONC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CCC2C=CC=CC2(S(=O)(=O)ONC3=NC=CC=N3)S(=O)(=O)ONC4=NC=CC=N4

InChI

InChI=1S/C22H22N6O6S2/c29-35(30,33-27-20-23-14-6-15-24-20)22(36(31,32)34-28-21-25-16-7-17-26-21)13-5-4-10-19(22)12-11-18-8-2-1-3-9-18/h1-10,13-17,19H,11-12H2,(H,23,24,27)(H,25,26,28)