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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N5O2/c1-4-5-6-7-8-9-14-29-22(30)20-21(26(3)24(29)31)25-23-27(15-11-16-28(20)23)19-13-10-12-18(2)17-19/h10,12-13,17H,4-9,11,14-16H2,1-3H3/q+2