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

Systemtic Name: 2-[[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-7-ethyl-purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-7-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-7-ethyl-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-7-ethylpurin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-7-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C23H25N7O4S MolecularWeight: 495.5541

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=NC(=N2)NC3=NC(=C(S3)C(=O)O)C)N4CCC5=CC(=C(C=C5C4)OC)OC

Isomeric SMILES

CCN1C=NC2=C1C(=NC(=N2)NC3=NC(=C(S3)C(=O)O)C)N4CCC5=CC(=C(C=C5C4)OC)OC

InChI

InChI=1S/C23H25N7O4S/c1-5-29-11-24-19-17(29)20(27-22(26-19)28-23-25-12(2)18(35-23)21(31)32)30-7-6-13-8-15(33-3)16(34-4)9-14(13)10-30/h8-9,11H,5-7,10H2,1-4H3,(H,31,32)(H,25,26,27,28)