9-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 9-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 9-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 9-[2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 9-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 9-[2-[4-(2-furoyl)piperazino]-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C18H20N6O5 MolecularWeight: 400.3886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(=O)N3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=CN2CC(=O)N3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C18H20N6O5/c1-20-15-14(17(27)21(2)18(20)28)19-11-24(15)10-13(25)22-5-7-23(8-6-22)16(26)12-4-3-9-29-12/h3-4,9,11H,5-8,10H2,1-2H3