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

Systemtic Name: ethyl 2-[[6-(2-methoxyethylamino)-9-[(4-methylsulfonylphenyl)methyl]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[6-(2-methoxyethylamino)-9-[(4-methylsulfonylphenyl)methyl]purin-2-yl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[6-(2-methoxyethylamino)-9-[(4-methylsulfonylphenyl)methyl]-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[6-(2-methoxyethylamino)-9-[(4-methylsulfonylphenyl)methyl]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[9-(4-mesylbenzyl)-6-(2-methoxyethylamino)purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C23H27N7O5S2 MolecularWeight: 545.63438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC2=NC3=C(C(=N2)NCCOC)N=CN3CC4=CC=C(C=C4)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC2=NC3=C(C(=N2)NCCOC)N=CN3CC4=CC=C(C=C4)S(=O)(=O)C)C

InChI

InChI=1S/C23H27N7O5S2/c1-5-35-21(31)18-14(2)26-23(36-18)29-22-27-19(24-10-11-34-3)17-20(28-22)30(13-25-17)12-15-6-8-16(9-7-15)37(4,32)33/h6-9,13H,5,10-12H2,1-4H3,(H2,24,26,27,28,29)