7-ethyl-8-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-ethyl-8-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-ethyl-8-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-ethyl-8-[[2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl]thio]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-ethyl-8-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-ethyl-8-[[2-[4-(2-furoyl)piperazino]-2-keto-ethyl]thio]-1,3-dimethyl-xanthine Formula: C20H24N6O5S MolecularWeight: 460.50676

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H24N6O5S/c1-4-26-15-16(22(2)20(30)23(3)18(15)29)21-19(26)32-12-14(27)24-7-9-25(10-8-24)17(28)13-6-5-11-31-13/h5-6,11H,4,7-10,12H2,1-3H3