3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]benzenesulfonamide

Systemtic Name: 3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]benzenesulfonamide IUPAC Name: 3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]benzenesulfonamide Formula: C18H22N6O3S MolecularWeight: 402.47068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)NC4=CC(=CC=C4)S(=O)(=O)N

Isomeric SMILES

C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)NC4=CC(=CC=C4)S(=O)(=O)N

InChI

InChI=1S/C18H22N6O3S/c19-28(25,26)14-8-4-7-13(9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-5-2-1-3-6-12/h4,7-9,11-12H,1-3,5-6,10H2,(H2,19,25,26)(H2,20,21,22,23,24)