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

Systemtic Name: 9-(3,4-dimethylphenyl)-1-methyl-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 9-(3,4-dimethylphenyl)-1-methyl-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(3,4-dimethylphenyl)-1-methyl-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(3,4-dimethylphenyl)-1-methyl-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 9-(3,4-dimethylphenyl)-1-methyl-3-stearyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C35H55N5O2+2 MolecularWeight: 577.8435

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C35H55N5O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-40-33(41)31-32(37(4)35(40)42)36-34-38(25-21-26-39(31)34)30-23-22-28(2)29(3)27-30/h22-23,27H,5-21,24-26H2,1-4H3/q+2