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

Systemtic Name: 2-[[9-ethyl-6-[(4-methylsulfonylphenyl)sulfonylamino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[9-ethyl-6-[(4-methylsulfonylphenyl)sulfonylamino]purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[9-ethyl-6-[(4-methylsulfonylphenyl)sulfonylamino]-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[9-ethyl-6-[(4-methylsulfonylphenyl)sulfonylamino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[9-ethyl-6-[(4-mesylphenyl)sulfonylamino]purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C19H19N7O6S3 MolecularWeight: 537.59246

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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)O)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)O)C

InChI

InChI=1S/C19H19N7O6S3/c1-4-26-9-20-13-15(25-35(31,32)12-7-5-11(6-8-12)34(3,29)30)22-18(23-16(13)26)24-19-21-10(2)14(33-19)17(27)28/h5-9H,4H2,1-3H3,(H,27,28)(H2,21,22,23,24,25)