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

Systemtic Name: 2-[[7-ethyl-6-(1-phenylethylamino)purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[7-ethyl-6-(1-phenylethylamino)purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[7-ethyl-6-(1-phenylethylamino)-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[7-ethyl-6-(1-phenylethylamino)purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[7-ethyl-6-(1-phenylethylamino)purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C20H21N7O2S MolecularWeight: 423.49144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N7O2S/c1-4-27-10-21-16-14(27)17(22-11(2)13-8-6-5-7-9-13)25-19(24-16)26-20-23-12(3)15(30-20)18(28)29/h5-11H,4H2,1-3H3,(H,28,29)(H2,22,23,24,25,26)