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

Systemtic Name: ethyl 2-[[6-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-7-ethyl-purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[6-(2,3-dihydrobenzofuran-5-ylmethylamino)-7-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[6-(2,3-dihydrobenzofuran-5-ylmethylamino)-7-ethyl-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[6-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-7-ethylpurin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[6-(coumaran-5-ylmethylamino)-7-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C23H25N7O3S MolecularWeight: 479.5547

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N7O3S/c1-4-30-12-25-20-17(30)19(24-11-14-6-7-16-15(10-14)8-9-33-16)27-22(28-20)29-23-26-13(3)18(34-23)21(31)32-5-2/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H2,24,26,27,28,29)