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

Systemtic Name: ethyl 2-[[7-ethyl-6-[(4-methylsulfonylphenyl)methylamino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[7-ethyl-6-[(4-methylsulfonylphenyl)methylamino]purin-2-yl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[7-ethyl-6-[(4-methylsulfonylphenyl)methylamino]-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[7-ethyl-6-[(4-methylsulfonylphenyl)methylamino]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[7-ethyl-6-[(4-mesylbenzyl)amino]purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H25N7O4S2 MolecularWeight: 515.6084

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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)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N7O4S2/c1-5-29-12-24-19-16(29)18(23-11-14-7-9-15(10-8-14)35(4,31)32)26-21(27-19)28-22-25-13(3)17(34-22)20(30)33-6-2/h7-10,12H,5-6,11H2,1-4H3,(H2,23,25,26,27,28)