ethyl 2-[[9-ethyl-6-[(4-methoxyphenyl)methylsulfanyl]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[[9-ethyl-6-[(4-methoxyphenyl)methylsulfanyl]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[9-ethyl-6-[(4-methoxyphenyl)methylsulfanyl]purin-2-yl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[9-ethyl-6-[(4-methoxyphenyl)methylthio]-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[9-ethyl-6-[(4-methoxyphenyl)methylsulfanyl]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[9-ethyl-6-(p-anisylthio)purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H24N6O3S2 MolecularWeight: 484.59436

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2SCC3=CC=C(C=C3)OC)NC4=NC(=C(S4)C(=O)OCC)C

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2SCC3=CC=C(C=C3)OC)NC4=NC(=C(S4)C(=O)OCC)C

InChI

InChI=1S/C22H24N6O3S2/c1-5-28-12-23-16-18(28)25-21(27-22-24-13(3)17(33-22)20(29)31-6-2)26-19(16)32-11-14-7-9-15(30-4)10-8-14/h7-10,12H,5-6,11H2,1-4H3,(H,24,25,26,27)