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

Systemtic Name: 9-(furan-2-ylmethyl)-1-methyl-3-octyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Openeye Name: 9-(2-furylmethyl)-1-methyl-3-octyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione CAS Name: 9-(2-furanylmethyl)-1-methyl-3-octyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione IUPAC Name: 9-(furan-2-ylmethyl)-1-methyl-3-octyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Traditional Name: 9-(2-furfuryl)-1-methyl-3-octyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-quinone Formula: C22H31N5O3+2 MolecularWeight: 413.51324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C2=[N+]3CCC[N+](=C3N=C2N(C1=O)C)CC4=CC=CO4

Isomeric SMILES

CCCCCCCCN1C(=O)C2=[N+]3CCC[N+](=C3N=C2N(C1=O)C)CC4=CC=CO4

InChI

InChI=1S/C22H31N5O3/c1-3-4-5-6-7-8-13-27-20(28)18-19(24(2)22(27)29)23-21-25(12-10-14-26(18)21)16-17-11-9-15-30-17/h9,11,15H,3-8,10,12-14,16H2,1-2H3/q+2