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

Systemtic Name: 2-[[7-ethyl-6-(quinolin-3-ylmethylamino)purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[7-ethyl-6-(3-quinolylmethylamino)purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[7-ethyl-6-(3-quinolinylmethylamino)-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[7-ethyl-6-(quinolin-3-ylmethylamino)purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[7-ethyl-6-(3-quinolylmethylamino)purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C22H20N8O2S MolecularWeight: 460.5116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N8O2S/c1-3-30-11-25-19-16(30)18(24-10-13-8-14-6-4-5-7-15(14)23-9-13)27-21(28-19)29-22-26-12(2)17(33-22)20(31)32/h4-9,11H,3,10H2,1-2H3,(H,31,32)(H2,24,26,27,28,29)