8-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-7-ethyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-7-ethyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[2-(3,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-7-ethyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[2-(3,4-dimethylphenyl)-2-oxoethyl]thio]-7-ethyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[2-(3,4-dimethylphenyl)-2-oxoethyl]sulfanyl-7-ethyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[[2-(3,4-dimethylphenyl)-2-keto-ethyl]thio]-7-ethyl-1,3-dimethyl-xanthine Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)C3=CC(=C(C=C3)C)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)C3=CC(=C(C=C3)C)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H22N4O3S/c1-6-23-15-16(21(4)19(26)22(5)17(15)25)20-18(23)27-10-14(24)13-8-7-11(2)12(3)9-13/h7-9H,6,10H2,1-5H3