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

Systemtic Name: 2-[[6-(2,3-dihydro-1H-inden-1-ylamino)-7-ethyl-purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[7-ethyl-6-(indan-1-ylamino)purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[6-(2,3-dihydro-1H-inden-1-ylamino)-7-ethyl-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[6-(2,3-dihydro-1H-inden-1-ylamino)-7-ethylpurin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[7-ethyl-6-(indan-1-ylamino)purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C21H21N7O2S MolecularWeight: 435.50214

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=NC(=N2)NC3=NC(=C(S3)C(=O)O)C)NC4CCC5=CC=CC=C45

Isomeric SMILES

CCN1C=NC2=C1C(=NC(=N2)NC3=NC(=C(S3)C(=O)O)C)NC4CCC5=CC=CC=C45

InChI

InChI=1S/C21H21N7O2S/c1-3-28-10-22-17-15(28)18(24-14-9-8-12-6-4-5-7-13(12)14)26-20(25-17)27-21-23-11(2)16(31-21)19(29)30/h4-7,10,14H,3,8-9H2,1-2H3,(H,29,30)(H2,23,24,25,26,27)