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

Systemtic Name: 2-[[7-ethyl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[7-ethyl-6-(3-pyridylmethylamino)purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[7-ethyl-6-(3-pyridinylmethylamino)-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[7-ethyl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[7-ethyl-6-(3-pyridylmethylamino)purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C18H18N8O2S MolecularWeight: 410.45292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N8O2S/c1-3-26-9-21-15-12(26)14(20-8-11-5-4-6-19-7-11)23-17(24-15)25-18-22-10(2)13(29-18)16(27)28/h4-7,9H,3,8H2,1-2H3,(H,27,28)(H2,20,22,23,24,25)