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

Systemtic Name: 9-cyclohexyl-3-dodecyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Openeye Name: 9-cyclohexyl-3-dodecyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione CAS Name: 9-cyclohexyl-3-dodecyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione IUPAC Name: 9-cyclohexyl-3-dodecyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Traditional Name: 9-cyclohexyl-3-lauryl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-quinone Formula: C27H45N5O2+2 MolecularWeight: 471.6785

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=O)C2=[N+]3CCC[N+](=C3N=C2N(C1=O)C)C4CCCCC4

Isomeric SMILES

CCCCCCCCCCCCN1C(=O)C2=[N+]3CCC[N+](=C3N=C2N(C1=O)C)C4CCCCC4

InChI

InChI=1S/C27H45N5O2/c1-3-4-5-6-7-8-9-10-11-15-19-32-25(33)23-24(29(2)27(32)34)28-26-30(20-16-21-31(23)26)22-17-13-12-14-18-22/h22H,3-21H2,1-2H3/q+2