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

Systemtic Name: 8-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C17H21N6O4+ MolecularWeight: 373.38644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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