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

Systemtic Name: 8-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl]-7-hexadecyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7-hexadecyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methyl]-7-hexadecyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-7-hexadecyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-cetyl-8-[[4-(2-furoyl)piperazino]methyl]-1,3-dimethyl-xanthine Formula: C33H52N6O4 MolecularWeight: 596.80378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C33H52N6O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-39-28(34-30-29(39)32(41)36(3)33(42)35(30)2)26-37-21-23-38(24-22-37)31(40)27-19-18-25-43-27/h18-19,25H,4-17,20-24,26H2,1-3H3