4-[[2-(2-methylmorpholin-4-yl)-9-(1,3-thiazol-4-yl)purin-6-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[2-(2-methylmorpholin-4-yl)-9-(1,3-thiazol-4-yl)purin-6-yl]amino]benzenesulfonamide Openeye Name: 4-[[2-(2-methylmorpholin-4-yl)-9-thiazol-4-yl-purin-6-yl]amino]benzenesulfonamide CAS Name: 4-[[2-(2-methyl-4-morpholinyl)-9-(4-thiazolyl)-6-purinyl]amino]benzenesulfonamide IUPAC Name: 4-[[2-(2-methylmorpholin-4-yl)-9-(1,3-thiazol-4-yl)purin-6-yl]amino]benzenesulfonamide Traditional Name: 4-[[2-(2-methylmorpholino)-9-thiazol-4-yl-purin-6-yl]amino]benzenesulfonamide Formula: C19H20N8O3S2 MolecularWeight: 472.5439

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCO1)C2=NC3=C(C(=N2)NC4=CC=C(C=C4)S(=O)(=O)N)N=CN3C5=CSC=N5

Isomeric SMILES

CC1CN(CCO1)C2=NC3=C(C(=N2)NC4=CC=C(C=C4)S(=O)(=O)N)N=CN3C5=CSC=N5

InChI

InChI=1S/C19H20N8O3S2/c1-12-8-26(6-7-30-12)19-24-17(23-13-2-4-14(5-3-13)32(20,28)29)16-18(25-19)27(10-21-16)15-9-31-11-22-15/h2-5,9-12H,6-8H2,1H3,(H2,20,28,29)(H,23,24,25)