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

Systemtic Name: 9-(4-dimethylaminophenyl)-1,7-dimethyl-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 9-(4-dimethylaminophenyl)-1,7-dimethyl-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(4-dimethylaminophenyl)-1,7-dimethyl-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(4-dimethylaminophenyl)-1,7-dimethyl-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 9-(4-dimethylaminophenyl)-1,7-dimethyl-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C27H40N6O2+2 MolecularWeight: 480.6455

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N6O2/c1-6-7-8-9-10-11-12-17-31-25(34)23-24(30(5)27(31)35)28-26-32(18-20(2)19-33(23)26)22-15-13-21(14-16-22)29(3)4/h13-16,20H,6-12,17-19H2,1-5H3/q+2