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

Systemtic Name: 9-(furan-2-ylmethyl)-3-hexyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Openeye Name: 9-(2-furylmethyl)-3-hexyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione CAS Name: 9-(2-furanylmethyl)-3-hexyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione IUPAC Name: 9-(furan-2-ylmethyl)-3-hexyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Traditional Name: 9-(2-furfuryl)-3-hexyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-quinone Formula: C20H27N5O3+2 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=[N+]3CCC[N+](=C3N=C2N(C1=O)C)CC4=CC=CO4

Isomeric SMILES

CCCCCCN1C(=O)C2=[N+]3CCC[N+](=C3N=C2N(C1=O)C)CC4=CC=CO4

InChI

InChI=1S/C20H27N5O3/c1-3-4-5-6-11-25-18(26)16-17(22(2)20(25)27)21-19-23(10-8-12-24(16)19)14-15-9-7-13-28-15/h7,9,13H,3-6,8,10-12,14H2,1-2H3/q+2