ethyl 2-[[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-7-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)-7-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)-7-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-7-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)-7-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)-7-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=C1C(=NC(=N2)NC3=NC(=C(S3)C(=O)OCC)C)N4CCC5=CC(=C(C=C5C4)OC)OC

Isomeric SMILES

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

InChI

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