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

Systemtic Name: 2-[[6-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-7-ethyl-purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[6-(2,3-dihydrobenzofuran-5-ylmethylamino)-7-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[6-(2,3-dihydrobenzofuran-5-ylmethylamino)-7-ethyl-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[6-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-7-ethylpurin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[6-(coumaran-5-ylmethylamino)-7-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C21H21N7O3S MolecularWeight: 451.50154

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=NC(=N2)NC3=NC(=C(S3)C(=O)O)C)NCC4=CC5=C(C=C4)OCC5

Isomeric SMILES

CCN1C=NC2=C1C(=NC(=N2)NC3=NC(=C(S3)C(=O)O)C)NCC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C21H21N7O3S/c1-3-28-10-23-18-15(28)17(22-9-12-4-5-14-13(8-12)6-7-31-14)25-20(26-18)27-21-24-11(2)16(32-21)19(29)30/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,29,30)(H2,22,24,25,26,27)