9-cyclohexyl-1-methyl-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione

Systemtic Name: 9-cyclohexyl-1-methyl-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Openeye Name: 9-cyclohexyl-1-methyl-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione CAS Name: 9-cyclohexyl-1-methyl-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione IUPAC Name: 9-cyclohexyl-1-methyl-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Traditional Name: 9-cyclohexyl-1-methyl-3-stearyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-quinone Formula: C33H57N5O2+2 MolecularWeight: 555.83798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=O)C2=[N+]3CCC[N+](=C3N=C2N(C1=O)C)C4CCCCC4

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=O)C2=[N+]3CCC[N+](=C3N=C2N(C1=O)C)C4CCCCC4

InChI

InChI=1S/C33H57N5O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-38-31(39)29-30(35(2)33(38)40)34-32-36(26-22-27-37(29)32)28-23-19-18-20-24-28/h28H,3-27H2,1-2H3/q+2