4-[2,6-bis(oxidanylidene)-1-propyl-3,7-dihydropurin-8-yl]-N-phenethyl-benzenesulfonamide

Systemtic Name: 4-[2,6-bis(oxidanylidene)-1-propyl-3,7-dihydropurin-8-yl]-N-phenethyl-benzenesulfonamide Openeye Name: 4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)-N-phenethyl-benzenesulfonamide CAS Name: 4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)-N-phenethylbenzenesulfonamide IUPAC Name: 4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)-N-phenethylbenzenesulfonamide Traditional Name: 4-(2,6-diketo-1-propyl-3,7-dihydropurin-8-yl)-N-phenethyl-benzenesulfonamide Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O4S/c1-2-14-27-21(28)18-20(26-22(27)29)25-19(24-18)16-8-10-17(11-9-16)32(30,31)23-13-12-15-6-4-3-5-7-15/h3-11,23H,2,12-14H2,1H3,(H,24,25)(H,26,29)