9-(4-dimethylaminophenyl)-1-methyl-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione

Systemtic Name: 9-(4-dimethylaminophenyl)-1-methyl-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 9-(4-dimethylaminophenyl)-1-methyl-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(4-dimethylaminophenyl)-1-methyl-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(4-dimethylaminophenyl)-1-methyl-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 9-(4-dimethylaminophenyl)-1-methyl-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C26H38N6O2+2 MolecularWeight: 466.61892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N6O2/c1-5-6-7-8-9-10-11-17-32-24(33)22-23(29(4)26(32)34)27-25-30(18-12-19-31(22)25)21-15-13-20(14-16-21)28(2)3/h13-16H,5-12,17-19H2,1-4H3/q+2