4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-propyl-benzenesulfonamide

Systemtic Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-propyl-benzenesulfonamide Openeye Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-propyl-benzenesulfonamide CAS Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-propylbenzenesulfonamide IUPAC Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-propylbenzenesulfonamide Traditional Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N-propyl-benzenesulfonamide Formula: C21H28N6O3S MolecularWeight: 444.55042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O3S/c1-2-12-24-31(28,29)17-10-8-16(9-11-17)25-21-26-19-18(22-14-23-19)20(27-21)30-13-15-6-4-3-5-7-15/h8-11,14-15,24H,2-7,12-13H2,1H3,(H2,22,23,25,26,27)