ethyl 2-[[9-ethyl-6-[(4-methylsulfonylphenyl)methoxy]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[[9-ethyl-6-[(4-methylsulfonylphenyl)methoxy]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[9-ethyl-6-[(4-methylsulfonylphenyl)methoxy]purin-2-yl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[9-ethyl-6-[(4-methylsulfonylphenyl)methoxy]-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[9-ethyl-6-[(4-methylsulfonylphenyl)methoxy]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[9-ethyl-6-(4-mesylbenzyl)oxy-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H24N6O5S2 MolecularWeight: 516.59316

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2OCC3=CC=C(C=C3)S(=O)(=O)C)NC4=NC(=C(S4)C(=O)OCC)C

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2OCC3=CC=C(C=C3)S(=O)(=O)C)NC4=NC(=C(S4)C(=O)OCC)C

InChI

InChI=1S/C22H24N6O5S2/c1-5-28-12-23-16-18(28)25-21(27-22-24-13(3)17(34-22)20(29)32-6-2)26-19(16)33-11-14-7-9-15(10-8-14)35(4,30)31/h7-10,12H,5-6,11H2,1-4H3,(H,24,25,26,27)