N-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]sulfonylethanamide

Systemtic Name: N-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]sulfonylethanamide Openeye Name: N-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]sulfonylacetamide CAS Name: N-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]sulfonylacetamide IUPAC Name: N-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]sulfonylacetamide Traditional Name: N-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]sulfonylacetamide Formula: C20H24N6O4S MolecularWeight: 444.50736

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC2=NC3=C(C(=N2)OCC4CCCCC4)NC=N3

Isomeric SMILES

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC2=NC3=C(C(=N2)OCC4CCCCC4)NC=N3

InChI

InChI=1S/C20H24N6O4S/c1-13(27)26-31(28,29)16-9-7-15(8-10-16)23-20-24-18-17(21-12-22-18)19(25-20)30-11-14-5-3-2-4-6-14/h7-10,12,14H,2-6,11H2,1H3,(H,26,27)(H2,21,22,23,24,25)