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

Systemtic Name: 9-(2,4-dimethoxyphenyl)-3-dodecyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 9-(2,4-dimethoxyphenyl)-3-dodecyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(2,4-dimethoxyphenyl)-3-dodecyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(2,4-dimethoxyphenyl)-3-dodecyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 9-(2,4-dimethoxyphenyl)-3-lauryl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C29H43N5O4+2 MolecularWeight: 525.68282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H43N5O4/c1-5-6-7-8-9-10-11-12-13-14-18-34-27(35)25-26(31(2)29(34)36)30-28-32(19-15-20-33(25)28)23-17-16-22(37-3)21-24(23)38-4/h16-17,21H,5-15,18-20H2,1-4H3/q+2