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

Systemtic Name: 9-(3,5-dimethylphenyl)-3-dodecyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 9-(3,5-dimethylphenyl)-3-dodecyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(3,5-dimethylphenyl)-3-dodecyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(3,5-dimethylphenyl)-3-dodecyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 9-(3,5-dimethylphenyl)-3-lauryl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C29H43N5O2+2 MolecularWeight: 493.68402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=CC(=CC(=C4)C)C

Isomeric SMILES

CCCCCCCCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=CC(=CC(=C4)C)C

InChI

InChI=1S/C29H43N5O2/c1-5-6-7-8-9-10-11-12-13-14-16-34-27(35)25-26(31(4)29(34)36)30-28-32(17-15-18-33(25)28)24-20-22(2)19-23(3)21-24/h19-21H,5-18H2,1-4H3/q+2