4-[[9-ethyl-6-[(2-methylphenyl)amino]purin-2-yl]amino]cyclohexan-1-ol; N-fluoranylbenzenesulfonamide

Systemtic Name: 4-[[9-ethyl-6-[(2-methylphenyl)amino]purin-2-yl]amino]cyclohexan-1-ol; N-fluoranylbenzenesulfonamide Openeye Name: 4-[[9-ethyl-6-(2-methylanilino)purin-2-yl]amino]cyclohexanol; N-fluorobenzenesulfonamide CAS Name: 4-[[9-ethyl-6-(2-methylanilino)-2-purinyl]amino]-1-cyclohexanol; N-fluorobenzenesulfonamide IUPAC Name: 4-[[9-ethyl-6-(2-methylanilino)purin-2-yl]amino]cyclohexan-1-ol; N-fluorobenzenesulfonamide Traditional Name: 4-[[9-ethyl-6-(o-toluidino)purin-2-yl]amino]cyclohexanol; N-fluorobenzenesulfonamide Formula: C26H32FN7O3S MolecularWeight: 541.640783

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC=C3C)NC4CCC(CC4)O.C1=CC=C(C=C1)S(=O)(=O)NF

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC=C3C)NC4CCC(CC4)O.C1=CC=C(C=C1)S(=O)(=O)NF

InChI

InChI=1S/C20H26N6O.C6H6FNO2S/c1-3-26-12-21-17-18(23-16-7-5-4-6-13(16)2)24-20(25-19(17)26)22-14-8-10-15(27)11-9-14;7-8-11(9,10)6-4-2-1-3-5-6/h4-7,12,14-15,27H,3,8-11H2,1-2H3,(H2,22,23,24,25);1-5,8H