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

Systemtic Name: 1,7-dimethyl-3-nonyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 1,7-dimethyl-3-nonyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 1,7-dimethyl-3-nonyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 1,7-dimethyl-3-nonyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 1,7-dimethyl-3-nonyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C25H35N5O2+2 MolecularWeight: 437.5777

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C(=O)C2=[N+]3CC(CN(C3=NC2=[N+](C1=O)C)C4=CC=CC=C4)C

Isomeric SMILES

CCCCCCCCCN1C(=O)C2=[N+]3CC(CN(C3=NC2=[N+](C1=O)C)C4=CC=CC=C4)C

InChI

InChI=1S/C25H35N5O2/c1-4-5-6-7-8-9-13-16-28-23(31)21-22(27(3)25(28)32)26-24-29(17-19(2)18-30(21)24)20-14-11-10-12-15-20/h10-12,14-15,19H,4-9,13,16-18H2,1-3H3/q+2