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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2C)SCC(=O)C3=CC(=C(C=C3)C)C)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2C)SCC(=O)C3=CC(=C(C=C3)C)C)N(C1=O)C

InChI

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