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

Systemtic Name: 2-[[9-ethyl-6-[(4-methoxyphenyl)methylsulfanyl]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[9-ethyl-6-[(4-methoxyphenyl)methylsulfanyl]purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[9-ethyl-6-[(4-methoxyphenyl)methylthio]-2-purinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[9-ethyl-6-[(4-methoxyphenyl)methylsulfanyl]purin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[9-ethyl-6-(p-anisylthio)purin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C20H20N6O3S2 MolecularWeight: 456.5412

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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)O)C

Isomeric SMILES

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

InChI

InChI=1S/C20H20N6O3S2/c1-4-26-10-21-14-16(26)23-19(25-20-22-11(2)15(31-20)18(27)28)24-17(14)30-9-12-5-7-13(29-3)8-6-12/h5-8,10H,4,9H2,1-3H3,(H,27,28)(H,22,23,24,25)