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

Systemtic Name: 1-methyl-9-(2-methylphenyl)-3-octyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 1-methyl-3-octyl-9-(o-tolyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 1-methyl-9-(2-methylphenyl)-3-octyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 1-methyl-9-(2-methylphenyl)-3-octyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 1-methyl-3-octyl-9-(o-tolyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C24H33N5O2+2 MolecularWeight: 423.55112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=CC=CC=C4C

Isomeric SMILES

CCCCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=CC=CC=C4C

InChI

InChI=1S/C24H33N5O2/c1-4-5-6-7-8-11-15-29-22(30)20-21(26(3)24(29)31)25-23-27(16-12-17-28(20)23)19-14-10-9-13-18(19)2/h9-10,13-14H,4-8,11-12,15-17H2,1-3H3/q+2