7-ethyl-1,3-dimethyl-8-[(4-methylphenyl)methylsulfanyl]purine-2,6-dione

Systemtic Name: 7-ethyl-1,3-dimethyl-8-[(4-methylphenyl)methylsulfanyl]purine-2,6-dione Openeye Name: 7-ethyl-1,3-dimethyl-8-(p-tolylmethylsulfanyl)purine-2,6-dione CAS Name: 7-ethyl-1,3-dimethyl-8-[(4-methylphenyl)methylthio]purine-2,6-dione IUPAC Name: 7-ethyl-1,3-dimethyl-8-[(4-methylphenyl)methylsulfanyl]purine-2,6-dione Traditional Name: 7-ethyl-1,3-dimethyl-8-[(4-methylbenzyl)thio]xanthine Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC3=CC=C(C=C3)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC3=CC=C(C=C3)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H20N4O2S/c1-5-21-13-14(19(3)17(23)20(4)15(13)22)18-16(21)24-10-12-8-6-11(2)7-9-12/h6-9H,5,10H2,1-4H3