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

Systemtic Name: 8-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-octyl-purine-2,6-dione Openeye Name: 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-octyl-purine-2,6-dione CAS Name: 8-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methyl]-1,3-dimethyl-7-octylpurine-2,6-dione IUPAC Name: 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-octylpurine-2,6-dione Traditional Name: 8-[[4-(2-furoyl)piperazino]methyl]-1,3-dimethyl-7-octyl-xanthine Formula: C25H36N6O4 MolecularWeight: 484.59114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C25H36N6O4/c1-4-5-6-7-8-9-12-31-20(26-22-21(31)24(33)28(3)25(34)27(22)2)18-29-13-15-30(16-14-29)23(32)19-11-10-17-35-19/h10-11,17H,4-9,12-16,18H2,1-3H3