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

Systemtic Name: 8-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-3-methyl-7H-purine-2,6-dione Openeye Name: 8-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-3-methyl-7H-purine-2,6-dione CAS Name: 8-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-3-methyl-7H-purine-2,6-dione IUPAC Name: 8-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-3-methyl-7H-purine-2,6-dione Traditional Name: 8-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]-3-methyl-7H-purine-2,6-quinone Formula: C16H19N6O4+ MolecularWeight: 359.35986

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)NC(=N2)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)NC(=N2)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C16H18N6O4/c1-20-13-12(14(23)19-16(20)25)17-11(18-13)9-21-4-6-22(7-5-21)15(24)10-3-2-8-26-10/h2-3,8H,4-7,9H2,1H3,(H,17,18)(H,19,23,25)/p+1