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

Systemtic Name: 9-cyclohexyl-3-hexadecyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Openeye Name: 9-cyclohexyl-3-hexadecyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione CAS Name: 9-cyclohexyl-3-hexadecyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione IUPAC Name: 9-cyclohexyl-3-hexadecyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Traditional Name: 3-cetyl-9-cyclohexyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-quinone Formula: C31H53N5O2+2 MolecularWeight: 527.78482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C(=O)C2=[N+]3CCC[N+](=C3N=C2N(C1=O)C)C4CCCCC4

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C(=O)C2=[N+]3CCC[N+](=C3N=C2N(C1=O)C)C4CCCCC4

InChI

InChI=1S/C31H53N5O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-23-36-29(37)27-28(33(2)31(36)38)32-30-34(24-20-25-35(27)30)26-21-17-16-18-22-26/h26H,3-25H2,1-2H3/q+2