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

Systemtic Name: ethyl 2-[[7-ethyl-6-(quinolin-3-ylmethylamino)purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[7-ethyl-6-(3-quinolylmethylamino)purin-2-yl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[7-ethyl-6-(3-quinolinylmethylamino)-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[7-ethyl-6-(quinolin-3-ylmethylamino)purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[7-ethyl-6-(3-quinolylmethylamino)purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C24H24N8O2S MolecularWeight: 488.56476

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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=CC=CC=C5N=C4

Isomeric SMILES

CCN1C=NC2=C1C(=NC(=N2)NC3=NC(=C(S3)C(=O)OCC)C)NCC4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C24H24N8O2S/c1-4-32-13-27-21-18(32)20(26-12-15-10-16-8-6-7-9-17(16)25-11-15)29-23(30-21)31-24-28-14(3)19(35-24)22(33)34-5-2/h6-11,13H,4-5,12H2,1-3H3,(H2,26,28,29,30,31)