1,7-dimethyl-3-octyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione

Systemtic Name: 1,7-dimethyl-3-octyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 1,7-dimethyl-3-octyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 1,7-dimethyl-3-octyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 1,7-dimethyl-3-octyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 1,7-dimethyl-3-octyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C24H33N5O2+2 MolecularWeight: 423.55112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C2=[N+]3CC(CN(C3=NC2=[N+](C1=O)C)C4=CC=CC=C4)C

Isomeric SMILES

CCCCCCCCN1C(=O)C2=[N+]3CC(CN(C3=NC2=[N+](C1=O)C)C4=CC=CC=C4)C

InChI

InChI=1S/C24H33N5O2/c1-4-5-6-7-8-12-15-27-22(30)20-21(26(3)24(27)31)25-23-28(16-18(2)17-29(20)23)19-13-10-9-11-14-19/h9-11,13-14,18H,4-8,12,15-17H2,1-3H3/q+2