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

Systemtic Name: 2-[[7-ethyl-6-[(4-methoxy-3-methyl-phenyl)methylamino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[7-ethyl-6-[(4-methoxy-3-methyl-phenyl)methylamino]purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[7-ethyl-6-[(4-methoxy-3-methylphenyl)methylamino]-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[7-ethyl-6-[(4-methoxy-3-methylphenyl)methylamino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[7-ethyl-6-[(4-methoxy-3-methyl-benzyl)amino]purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C21H23N7O3S MolecularWeight: 453.51742

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=CC(=C(C=C4)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N7O3S/c1-5-28-10-23-18-15(28)17(22-9-13-6-7-14(31-4)11(2)8-13)25-20(26-18)27-21-24-12(3)16(32-21)19(29)30/h6-8,10H,5,9H2,1-4H3,(H,29,30)(H2,22,24,25,26,27)