4-[6-[2,6-bis(chloranyl)phenyl]-8-phenyl-2-sulfanylidene-5,6-dihydro-1H-purin-9-yl]-N-pyrimidin-2-yl-benzenesulfonamide

Systemtic Name: 4-[6-[2,6-bis(chloranyl)phenyl]-8-phenyl-2-sulfanylidene-5,6-dihydro-1H-purin-9-yl]-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-[6-(2,6-dichlorophenyl)-8-phenyl-2-thioxo-5,6-dihydro-1H-purin-9-yl]-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-[6-(2,6-dichlorophenyl)-8-phenyl-2-sulfanylidene-5,6-dihydro-1H-purin-9-yl]-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[6-(2,6-dichlorophenyl)-8-phenyl-2-sulfanylidene-5,6-dihydro-1H-purin-9-yl]-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-[6-(2,6-dichlorophenyl)-8-phenyl-2-thioxo-5,6-dihydro-1H-purin-9-yl]-N-(2-pyrimidyl)benzenesulfonamide Formula: C27H19Cl2N7O2S2 MolecularWeight: 608.52146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3C(NC(=S)N=C3N2C4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5)C6=C(C=CC=C6Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3C(NC(=S)N=C3N2C4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5)C6=C(C=CC=C6Cl)Cl

InChI

InChI=1S/C27H19Cl2N7O2S2/c28-19-8-4-9-20(29)21(19)22-23-25(34-27(39)33-22)36(24(32-23)16-6-2-1-3-7-16)17-10-12-18(13-11-17)40(37,38)35-26-30-14-5-15-31-26/h1-15,22-23H,(H,33,39)(H,30,31,35)