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

Systemtic Name: 2-[[7-ethyl-6-[(5-methoxy-2,3-dihydro-1H-inden-1-yl)amino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[7-ethyl-6-[(5-methoxyindan-1-yl)amino]purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[7-ethyl-6-[(5-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[7-ethyl-6-[(5-methoxy-2,3-dihydro-1H-inden-1-yl)amino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[7-ethyl-6-[(5-methoxyindan-1-yl)amino]purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C22H23N7O3S MolecularWeight: 465.52812

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=NC(=N2)NC3=NC(=C(S3)C(=O)O)C)NC4CCC5=C4C=CC(=C5)OC

Isomeric SMILES

CCN1C=NC2=C1C(=NC(=N2)NC3=NC(=C(S3)C(=O)O)C)NC4CCC5=C4C=CC(=C5)OC

InChI

InChI=1S/C22H23N7O3S/c1-4-29-10-23-18-16(29)19(25-15-8-5-12-9-13(32-3)6-7-14(12)15)27-21(26-18)28-22-24-11(2)17(33-22)20(30)31/h6-7,9-10,15H,4-5,8H2,1-3H3,(H,30,31)(H2,24,25,26,27,28)