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

Systemtic Name: ethyl 2-[[7-ethyl-6-[(4-methoxy-3-methyl-phenyl)methylamino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[7-ethyl-6-[(4-methoxy-3-methyl-phenyl)methylamino]purin-2-yl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[7-ethyl-6-[(4-methoxy-3-methylphenyl)methylamino]-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[7-ethyl-6-[(4-methoxy-3-methylphenyl)methylamino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[7-ethyl-6-[(4-methoxy-3-methyl-benzyl)amino]purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C23H27N7O3S MolecularWeight: 481.57058

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C23H27N7O3S/c1-6-30-12-25-20-17(30)19(24-11-15-8-9-16(32-5)13(3)10-15)27-22(28-20)29-23-26-14(4)18(34-23)21(31)33-7-2/h8-10,12H,6-7,11H2,1-5H3,(H2,24,26,27,28,29)