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

Systemtic Name: 8-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[[2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl]thio]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[[2-[4-(2-furoyl)piperazino]-2-keto-ethyl]thio]-1,3,7-trimethyl-xanthine Formula: C19H22N6O5S MolecularWeight: 446.48018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H22N6O5S/c1-21-14-15(22(2)19(29)23(3)17(14)28)20-18(21)31-11-13(26)24-6-8-25(9-7-24)16(27)12-5-4-10-30-12/h4-5,10H,6-9,11H2,1-3H3