3-[1-(4-chlorophenyl)-6-oxidanylidene-2-(4-pyrazin-2-ylphenyl)purin-9-yl]benzenesulfonamide

Systemtic Name: 3-[1-(4-chlorophenyl)-6-oxidanylidene-2-(4-pyrazin-2-ylphenyl)purin-9-yl]benzenesulfonamide Openeye Name: 3-[1-(4-chlorophenyl)-6-oxo-2-(4-pyrazin-2-ylphenyl)purin-9-yl]benzenesulfonamide CAS Name: 3-[1-(4-chlorophenyl)-6-oxo-2-[4-(2-pyrazinyl)phenyl]-9-purinyl]benzenesulfonamide IUPAC Name: 3-[1-(4-chlorophenyl)-6-oxo-2-(4-pyrazin-2-ylphenyl)purin-9-yl]benzenesulfonamide Traditional Name: 3-[1-(4-chlorophenyl)-6-keto-2-(4-pyrazin-2-ylphenyl)purin-9-yl]benzenesulfonamide Formula: C27H18ClN7O3S MolecularWeight: 555.99492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)N)N2C=NC3=C2N=C(N(C3=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)C6=NC=CN=C6

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)N)N2C=NC3=C2N=C(N(C3=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)C6=NC=CN=C6

InChI

InChI=1S/C27H18ClN7O3S/c28-19-8-10-20(11-9-19)35-25(18-6-4-17(5-7-18)23-15-30-12-13-31-23)33-26-24(27(35)36)32-16-34(26)21-2-1-3-22(14-21)39(29,37)38/h1-16H,(H2,29,37,38)