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

Systemtic Name: 1-methyl-9-(2-methylphenyl)-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 1-methyl-3-octadecyl-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-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 1-methyl-9-(2-methylphenyl)-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 1-methyl-9-(o-tolyl)-3-stearyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C34H53N5O2+2 MolecularWeight: 563.81692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=CC=CC=C4C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=CC=CC=C4C

InChI

InChI=1S/C34H53N5O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-39-32(40)30-31(36(3)34(39)41)35-33-37(26-22-27-38(30)33)29-24-20-19-23-28(29)2/h19-20,23-24H,4-18,21-22,25-27H2,1-3H3/q+2