2,5-bis(chloranyl)-N-[5-(8-methyl-6-oxidanylidene-purin-2-yl)-2-phenyl-phenyl]sulfonyl-benzamide

Systemtic Name: 2,5-bis(chloranyl)-N-[5-(8-methyl-6-oxidanylidene-purin-2-yl)-2-phenyl-phenyl]sulfonyl-benzamide Openeye Name: 2,5-dichloro-N-[5-(8-methyl-6-oxo-purin-2-yl)-2-phenyl-phenyl]sulfonyl-benzamide CAS Name: 2,5-dichloro-N-[5-(8-methyl-6-oxo-2-purinyl)-2-phenylphenyl]sulfonylbenzamide IUPAC Name: 2,5-dichloro-N-[5-(8-methyl-6-oxopurin-2-yl)-2-phenylphenyl]sulfonylbenzamide Traditional Name: 2,5-dichloro-N-[5-(6-keto-8-methyl-purin-2-yl)-2-phenyl-phenyl]sulfonyl-benzamide Formula: C25H15Cl2N5O4S MolecularWeight: 552.3887

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NC(=NC(=O)C2=N1)C3=CC(=C(C=C3)C4=CC=CC=C4)S(=O)(=O)NC(=O)C5=C(C=CC(=C5)Cl)Cl

Isomeric SMILES

CC1=NC2=NC(=NC(=O)C2=N1)C3=CC(=C(C=C3)C4=CC=CC=C4)S(=O)(=O)NC(=O)C5=C(C=CC(=C5)Cl)Cl

InChI

InChI=1S/C25H15Cl2N5O4S/c1-13-28-21-23(29-13)30-22(31-25(21)34)15-7-9-17(14-5-3-2-4-6-14)20(11-15)37(35,36)32-24(33)18-12-16(26)8-10-19(18)27/h2-12H,1H3,(H,32,33)