8-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 8-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]sulfanyl-7-isopropyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]thio]-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]thio]-7-isopropyl-1,3-dimethyl-xanthine Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCC(=O)C3=CC4=C(C=C3)OCCO4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCC(=O)C3=CC4=C(C=C3)OCCO4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H22N4O5S/c1-11(2)24-16-17(22(3)20(27)23(4)18(16)26)21-19(24)30-10-13(25)12-5-6-14-15(9-12)29-8-7-28-14/h5-6,9,11H,7-8,10H2,1-4H3