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

Systemtic Name: 8-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-7-hexyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-7-hexyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-7-hexyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-7-hexyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]-7-hexyl-1,3-dimethyl-xanthine Formula: C23H33N6O4+ MolecularWeight: 457.54592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C23H32N6O4/c1-4-5-6-7-10-29-18(24-20-19(29)22(31)26(3)23(32)25(20)2)16-27-11-13-28(14-12-27)21(30)17-9-8-15-33-17/h8-9,15H,4-7,10-14,16H2,1-3H3/p+1