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

Systemtic Name: 8-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-1,3-dimethyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C28H29N6O4+ MolecularWeight: 513.56766

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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)CC5=CC=CC6=CC=CC=C65

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)CC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C28H28N6O4/c1-30-25-24(27(36)31(2)28(30)37)34(17-20-9-5-8-19-7-3-4-10-21(19)20)23(29-25)18-32-12-14-33(15-13-32)26(35)22-11-6-16-38-22/h3-11,16H,12-15,17-18H2,1-2H3/p+1