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

Systemtic Name: ethyl 2-[[7-ethyl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[7-ethyl-6-(3-pyridylmethylamino)purin-2-yl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[7-ethyl-6-(3-pyridinylmethylamino)-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[7-ethyl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[7-ethyl-6-(3-pyridylmethylamino)purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C20H22N8O2S MolecularWeight: 438.50608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N8O2S/c1-4-28-11-23-17-14(28)16(22-10-13-7-6-8-21-9-13)25-19(26-17)27-20-24-12(3)15(31-20)18(29)30-5-2/h6-9,11H,4-5,10H2,1-3H3,(H2,22,24,25,26,27)