9-(2-ethylphenyl)-1,7-dimethyl-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione

Systemtic Name: 9-(2-ethylphenyl)-1,7-dimethyl-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 9-(2-ethylphenyl)-1,7-dimethyl-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(2-ethylphenyl)-1,7-dimethyl-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(2-ethylphenyl)-1,7-dimethyl-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 9-(2-ethylphenyl)-1,7-dimethyl-3-stearyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C36H57N5O2+2 MolecularWeight: 591.87008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=O)C2=[N+]3CC(CN(C3=NC2=[N+](C1=O)C)C4=CC=CC=C4CC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=O)C2=[N+]3CC(CN(C3=NC2=[N+](C1=O)C)C4=CC=CC=C4CC)C

InChI

InChI=1S/C36H57N5O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-39-34(42)32-33(38(4)36(39)43)37-35-40(27-29(3)28-41(32)35)31-25-22-21-24-30(31)6-2/h21-22,24-25,29H,5-20,23,26-28H2,1-4H3/q+2