ethyl 2-[[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-9-ethyl-purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-9-ethyl-purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-9-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-9-ethyl-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-9-ethylpurin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-9-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C25H29N7O4S MolecularWeight: 523.60726

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2N3CCC4=CC(=C(C=C4C3)OC)OC)NC5=NC(=C(S5)C(=O)OCC)C

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2N3CCC4=CC(=C(C=C4C3)OC)OC)NC5=NC(=C(S5)C(=O)OCC)C

InChI

InChI=1S/C25H29N7O4S/c1-6-31-13-26-19-21(31)28-24(30-25-27-14(3)20(37-25)23(33)36-7-2)29-22(19)32-9-8-15-10-17(34-4)18(35-5)11-16(15)12-32/h10-11,13H,6-9,12H2,1-5H3,(H,27,28,29,30)