3-[3-butyl-1-methyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-4-propoxy-N-pyridin-4-yl-benzenesulfonamide

Systemtic Name: 3-[3-butyl-1-methyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-4-propoxy-N-pyridin-4-yl-benzenesulfonamide Openeye Name: 3-(3-butyl-1-methyl-2,6-dioxo-7H-purin-8-yl)-4-propoxy-N-(4-pyridyl)benzenesulfonamide CAS Name: 3-(3-butyl-1-methyl-2,6-dioxo-7H-purin-8-yl)-4-propoxy-N-pyridin-4-ylbenzenesulfonamide IUPAC Name: 3-(3-butyl-1-methyl-2,6-dioxo-7H-purin-8-yl)-4-propoxy-N-pyridin-4-ylbenzenesulfonamide Traditional Name: 3-(3-butyl-2,6-diketo-1-methyl-7H-purin-8-yl)-4-propoxy-N-(4-pyridyl)benzenesulfonamide Formula: C24H28N6O5S MolecularWeight: 512.58132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=C(C=CC(=C3)S(=O)(=O)NC4=CC=NC=C4)OCCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=C(C=CC(=C3)S(=O)(=O)NC4=CC=NC=C4)OCCC

InChI

InChI=1S/C24H28N6O5S/c1-4-6-13-30-22-20(23(31)29(3)24(30)32)26-21(27-22)18-15-17(7-8-19(18)35-14-5-2)36(33,34)28-16-9-11-25-12-10-16/h7-12,15H,4-6,13-14H2,1-3H3,(H,25,28)(H,26,27)