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

Systemtic Name: 8-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-nonyl-purine-2,6-dione Openeye Name: 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-nonyl-purine-2,6-dione CAS Name: 8-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methyl]-1,3-dimethyl-7-nonylpurine-2,6-dione IUPAC Name: 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-nonylpurine-2,6-dione Traditional Name: 8-[[4-(2-furoyl)piperazino]methyl]-1,3-dimethyl-7-nonyl-xanthine Formula: C26H38N6O4 MolecularWeight: 498.61772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C26H38N6O4/c1-4-5-6-7-8-9-10-13-32-21(27-23-22(32)25(34)29(3)26(35)28(23)2)19-30-14-16-31(17-15-30)24(33)20-12-11-18-36-20/h11-12,18H,4-10,13-17,19H2,1-3H3