9-(furan-2-ylmethyl)-1-methyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione

Systemtic Name: 9-(furan-2-ylmethyl)-1-methyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Openeye Name: 9-(2-furylmethyl)-1-methyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione CAS Name: 9-(2-furanylmethyl)-1-methyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione IUPAC Name: 9-(furan-2-ylmethyl)-1-methyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Traditional Name: 9-(2-furfuryl)-1-methyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-quinone Formula: C22H21N5O4+2 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC3=[N+](CCC[N+]3=C2C(=O)N(C1=O)CC(=O)C4=CC=CC=C4)CC5=CC=CO5

Isomeric SMILES

CN1C2=NC3=[N+](CCC[N+]3=C2C(=O)N(C1=O)CC(=O)C4=CC=CC=C4)CC5=CC=CO5

InChI

InChI=1S/C22H21N5O4/c1-24-19-18(20(29)27(22(24)30)14-17(28)15-7-3-2-4-8-15)26-11-6-10-25(21(26)23-19)13-16-9-5-12-31-16/h2-5,7-9,12H,6,10-11,13-14H2,1H3/q+2