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

Systemtic Name: 8-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[2-(3,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[[2-(3,4-dimethylphenyl)-2-oxoethyl]thio]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[2-(3,4-dimethylphenyl)-2-oxoethyl]sulfanyl-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[[2-(3,4-dimethylphenyl)-2-keto-ethyl]thio]-1,3,7-trimethyl-xanthine Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C18H20N4O3S/c1-10-6-7-12(8-11(10)2)13(23)9-26-17-19-15-14(20(17)3)16(24)22(5)18(25)21(15)4/h6-8H,9H2,1-5H3