3-(furan-2-ylmethyl)-1,8-dimethyl-purin-3-ium-2,6-dione

Systemtic Name: 3-(furan-2-ylmethyl)-1,8-dimethyl-purin-3-ium-2,6-dione Openeye Name: 3-(2-furylmethyl)-1,8-dimethyl-purin-3-ium-2,6-dione CAS Name: 3-(2-furanylmethyl)-1,8-dimethylpurin-3-ium-2,6-dione IUPAC Name: 3-(furan-2-ylmethyl)-1,8-dimethylpurin-3-ium-2,6-dione Traditional Name: 3-(2-furfuryl)-1,8-dimethyl-purin-3-ium-2,6-quinone Formula: C12H11N4O3+ MolecularWeight: 259.24074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=[N+](C(=O)N(C(=O)C2=N1)C)CC3=CC=CO3

Isomeric SMILES

CC1=NC2=[N+](C(=O)N(C(=O)C2=N1)C)CC3=CC=CO3

InChI

InChI=1S/C12H11N4O3/c1-7-13-9-10(14-7)16(6-8-4-3-5-19-8)12(18)15(2)11(9)17/h3-5H,6H2,1-2H3/q+1