7-[3-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[3-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-[4-(2-furoyl)piperazino]-2-hydroxy-propyl]-1,3-dimethyl-xanthine Formula: C19H24N6O5 MolecularWeight: 416.43106

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCN(CC3)C(=O)C4=CC=CO4)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCN(CC3)C(=O)C4=CC=CO4)O

InChI

InChI=1S/C19H24N6O5/c1-21-16-15(18(28)22(2)19(21)29)25(12-20-16)11-13(26)10-23-5-7-24(8-6-23)17(27)14-4-3-9-30-14/h3-4,9,12-13,26H,5-8,10-11H2,1-2H3