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

Systemtic Name: 8-chloranyl-7-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[2-[4-(2-furoyl)piperazino]-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C18H19ClN6O5 MolecularWeight: 434.83366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)N3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C18H19ClN6O5/c1-21-14-13(16(28)22(2)18(21)29)25(17(19)20-14)10-12(26)23-5-7-24(8-6-23)15(27)11-4-3-9-30-11/h3-4,9H,5-8,10H2,1-2H3