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

Systemtic Name: 3-dodecyl-1-methyl-9-(2-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 3-dodecyl-1-methyl-9-(o-tolyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 3-dodecyl-1-methyl-9-(2-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 3-dodecyl-1-methyl-9-(2-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 3-lauryl-1-methyl-9-(o-tolyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C28H41N5O2+2 MolecularWeight: 479.65744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=CC=CC=C4C

Isomeric SMILES

CCCCCCCCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=CC=CC=C4C

InChI

InChI=1S/C28H41N5O2/c1-4-5-6-7-8-9-10-11-12-15-19-33-26(34)24-25(30(3)28(33)35)29-27-31(20-16-21-32(24)27)23-18-14-13-17-22(23)2/h13-14,17-18H,4-12,15-16,19-21H2,1-3H3/q+2