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

Systemtic Name: 9-(furan-2-ylmethyl)-1-methyl-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Openeye Name: 9-(2-furylmethyl)-1-methyl-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione CAS Name: 9-(2-furanylmethyl)-1-methyl-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione IUPAC Name: 9-(furan-2-ylmethyl)-1-methyl-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Traditional Name: 9-(2-furfuryl)-1-methyl-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-quinone Formula: C23H33N5O3+2 MolecularWeight: 427.53982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C(=O)C2=[N+]3CCC[N+](=C3N=C2N(C1=O)C)CC4=CC=CO4

Isomeric SMILES

CCCCCCCCCN1C(=O)C2=[N+]3CCC[N+](=C3N=C2N(C1=O)C)CC4=CC=CO4

InChI

InChI=1S/C23H33N5O3/c1-3-4-5-6-7-8-9-14-28-21(29)19-20(25(2)23(28)30)24-22-26(13-11-15-27(19)22)17-18-12-10-16-31-18/h10,12,16H,3-9,11,13-15,17H2,1-2H3/q+2