5-[[4,6-bis(phenylsulfanyl)pyrimidin-2-yl]amino]-2-[(E)-2-[4-[[4,6-bis(phenylsulfanyl)pyrimidin-2-yl]amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid

Systemtic Name: 5-[[4,6-bis(phenylsulfanyl)pyrimidin-2-yl]amino]-2-[(E)-2-[4-[[4,6-bis(phenylsulfanyl)pyrimidin-2-yl]amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid Openeye Name: 5-[[4,6-bis(phenylsulfanyl)pyrimidin-2-yl]amino]-2-[(E)-2-[4-[[4,6-bis(phenylsulfanyl)pyrimidin-2-yl]amino]-2-sulfo-phenyl]vinyl]benzenesulfonic acid CAS Name: 5-[[4,6-bis(phenylthio)-2-pyrimidinyl]amino]-2-[(E)-2-[4-[[4,6-bis(phenylthio)-2-pyrimidinyl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid IUPAC Name: 5-[[4,6-bis(phenylsulfanyl)pyrimidin-2-yl]amino]-2-[(E)-2-[4-[[4,6-bis(phenylsulfanyl)pyrimidin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid Traditional Name: 5-[[4,6-bis(phenylthio)pyrimidin-2-yl]amino]-2-[(E)-2-[4-[[4,6-bis(phenylthio)pyrimidin-2-yl]amino]-2-sulfo-phenyl]vinyl]besylic acid Formula: C46H34N6O6S6 MolecularWeight: 959.18876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC(=NC(=N2)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=CC(=N5)SC6=CC=CC=C6)SC7=CC=CC=C7)S(=O)(=O)O)S(=O)(=O)O)SC8=CC=CC=C8

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC(=NC(=N2)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=CC(=N5)SC6=CC=CC=C6)SC7=CC=CC=C7)S(=O)(=O)O)S(=O)(=O)O)SC8=CC=CC=C8

InChI

InChI=1S/C46H34N6O6S6/c53-63(54,55)39-27-33(47-45-49-41(59-35-13-5-1-6-14-35)29-42(50-45)60-36-15-7-2-8-16-36)25-23-31(39)21-22-32-24-26-34(28-40(32)64(56,57)58)48-46-51-43(61-37-17-9-3-10-18-37)30-44(52-46)62-38-19-11-4-12-20-38/h1-30H,(H,47,49,50)(H,48,51,52)(H,53,54,55)(H,56,57,58)/b22-21+