4-methyl-2-[[9-[(4-methylsulfonylphenyl)methyl]-6-morpholin-4-yl-purin-2-yl]amino]-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-methyl-2-[[9-[(4-methylsulfonylphenyl)methyl]-6-morpholin-4-yl-purin-2-yl]amino]-1,3-thiazole-5-carboxylic acid Openeye Name: 4-methyl-2-[[9-[(4-methylsulfonylphenyl)methyl]-6-morpholino-purin-2-yl]amino]thiazole-5-carboxylic acid CAS Name: 4-methyl-2-[[9-[(4-methylsulfonylphenyl)methyl]-6-(4-morpholinyl)-2-purinyl]amino]-5-thiazolecarboxylic acid IUPAC Name: 4-methyl-2-[[9-[(4-methylsulfonylphenyl)methyl]-6-morpholin-4-ylpurin-2-yl]amino]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[9-(4-mesylbenzyl)-6-morpholino-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C22H23N7O5S2 MolecularWeight: 529.59192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC3=C(C(=N2)N4CCOCC4)N=CN3CC5=CC=C(C=C5)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC3=C(C(=N2)N4CCOCC4)N=CN3CC5=CC=C(C=C5)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C22H23N7O5S2/c1-13-17(20(30)31)35-22(24-13)27-21-25-18(28-7-9-34-10-8-28)16-19(26-21)29(12-23-16)11-14-3-5-15(6-4-14)36(2,32)33/h3-6,12H,7-11H2,1-2H3,(H,30,31)(H,24,25,26,27)