ethyl 2-[[6-[(3,5-dimethylphenyl)methylamino]-7-ethyl-purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[[6-[(3,5-dimethylphenyl)methylamino]-7-ethyl-purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[6-[(3,5-dimethylphenyl)methylamino]-7-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[6-[(3,5-dimethylphenyl)methylamino]-7-ethyl-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[6-[(3,5-dimethylphenyl)methylamino]-7-ethylpurin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[6-[(3,5-dimethylbenzyl)amino]-7-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C23H27N7O2S MolecularWeight: 465.57118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N7O2S/c1-6-30-12-25-20-17(30)19(24-11-16-9-13(3)8-14(4)10-16)27-22(28-20)29-23-26-15(5)18(33-23)21(31)32-7-2/h8-10,12H,6-7,11H2,1-5H3,(H2,24,26,27,28,29)