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

Systemtic Name: ethyl 2-[[9-ethyl-6-[(4-methylsulfonylphenyl)sulfonylamino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[9-ethyl-6-[(4-methylsulfonylphenyl)sulfonylamino]purin-2-yl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[9-ethyl-6-[(4-methylsulfonylphenyl)sulfonylamino]-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[9-ethyl-6-[(4-methylsulfonylphenyl)sulfonylamino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[9-ethyl-6-[(4-mesylphenyl)sulfonylamino]purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H23N7O6S3 MolecularWeight: 565.64562

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C)NC4=NC(=C(S4)C(=O)OCC)C

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C)NC4=NC(=C(S4)C(=O)OCC)C

InChI

InChI=1S/C21H23N7O6S3/c1-5-28-11-22-15-17(27-37(32,33)14-9-7-13(8-10-14)36(4,30)31)24-20(25-18(15)28)26-21-23-12(3)16(35-21)19(29)34-6-2/h7-11H,5-6H2,1-4H3,(H2,23,24,25,26,27)