2-[[7-ethyl-6-[(4-methylsulfonylphenyl)methylamino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[[7-ethyl-6-[(4-methylsulfonylphenyl)methylamino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[7-ethyl-6-[(4-methylsulfonylphenyl)methylamino]purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[7-ethyl-6-[(4-methylsulfonylphenyl)methylamino]-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[7-ethyl-6-[(4-methylsulfonylphenyl)methylamino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[7-ethyl-6-[(4-mesylbenzyl)amino]purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C20H21N7O4S2 MolecularWeight: 487.55524

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=NC(=N2)NC3=NC(=C(S3)C(=O)O)C)NCC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCN1C=NC2=C1C(=NC(=N2)NC3=NC(=C(S3)C(=O)O)C)NCC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C20H21N7O4S2/c1-4-27-10-22-17-14(27)16(21-9-12-5-7-13(8-6-12)33(3,30)31)24-19(25-17)26-20-23-11(2)15(32-20)18(28)29/h5-8,10H,4,9H2,1-3H3,(H,28,29)(H2,21,23,24,25,26)