4-[[9-ethyl-6-(pyridin-4-ylamino)purin-2-yl]amino]cyclohexan-1-ol; 1-phenylethanesulfonamide

Systemtic Name: 4-[[9-ethyl-6-(pyridin-4-ylamino)purin-2-yl]amino]cyclohexan-1-ol; 1-phenylethanesulfonamide Openeye Name: 4-[[9-ethyl-6-(4-pyridylamino)purin-2-yl]amino]cyclohexanol; 1-phenylethanesulfonamide CAS Name: 4-[[9-ethyl-6-(pyridin-4-ylamino)-2-purinyl]amino]-1-cyclohexanol; 1-phenylethanesulfonamide IUPAC Name: 4-[[9-ethyl-6-(pyridin-4-ylamino)purin-2-yl]amino]cyclohexan-1-ol; 1-phenylethanesulfonamide Traditional Name: 4-[[9-ethyl-6-(4-pyridylamino)purin-2-yl]amino]cyclohexanol; 1-phenylethanesulfonamide Formula: C26H34N8O3S MolecularWeight: 538.66496

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=NC=C3)NC4CCC(CC4)O.CC(C1=CC=CC=C1)S(=O)(=O)N

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=NC=C3)NC4CCC(CC4)O.CC(C1=CC=CC=C1)S(=O)(=O)N

InChI

InChI=1S/C18H23N7O.C8H11NO2S/c1-2-25-11-20-15-16(21-13-7-9-19-10-8-13)23-18(24-17(15)25)22-12-3-5-14(26)6-4-12;1-7(12(9,10)11)8-5-3-2-4-6-8/h7-12,14,26H,2-6H2,1H3,(H2,19,21,22,23,24);2-7H,1H3,(H2,9,10,11)