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

Systemtic Name: ethyl 2-[[6-[(3-chloranyl-4-methyl-phenyl)methylamino]-7-ethyl-purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[6-[(3-chloro-4-methyl-phenyl)methylamino]-7-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[6-[(3-chloro-4-methylphenyl)methylamino]-7-ethyl-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[6-[(3-chloro-4-methylphenyl)methylamino]-7-ethylpurin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[6-[(3-chloro-4-methyl-benzyl)amino]-7-ethyl-purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H24ClN7O2S MolecularWeight: 485.98966

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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)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN7O2S/c1-5-30-11-25-19-16(30)18(24-10-14-8-7-12(3)15(23)9-14)27-21(28-19)29-22-26-13(4)17(33-22)20(31)32-6-2/h7-9,11H,5-6,10H2,1-4H3,(H2,24,26,27,28,29)