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

Systemtic Name: ethyl 2-[[6-[(4-acetamidophenyl)methylamino]-7-ethyl-purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[6-[(4-acetamidophenyl)methylamino]-7-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[6-[(4-acetamidophenyl)methylamino]-7-ethyl-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[6-[(4-acetamidophenyl)methylamino]-7-ethylpurin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[6-[(4-acetamidobenzyl)amino]-7-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C23H26N8O3S MolecularWeight: 494.56934

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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=C(C=C4)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H26N8O3S/c1-5-31-12-25-20-17(31)19(24-11-15-7-9-16(10-8-15)27-14(4)32)28-22(29-20)30-23-26-13(3)18(35-23)21(33)34-6-2/h7-10,12H,5-6,11H2,1-4H3,(H,27,32)(H2,24,26,28,29,30)