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

Systemtic Name: 7-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-xanthine Formula: C17H21N6O4+ MolecularWeight: 373.38644

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C17H20N6O4/c1-19-14-13(16(25)20(2)17(19)26)23(10-18-14)11-21-5-7-22(8-6-21)15(24)12-4-3-9-27-12/h3-4,9-10H,5-8,11H2,1-2H3/p+1