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

Systemtic Name: 9-(4-butylphenyl)-1-methyl-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 9-(4-butylphenyl)-1-methyl-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(4-butylphenyl)-1-methyl-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(4-butylphenyl)-1-methyl-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 9-(4-butylphenyl)-1-methyl-3-stearyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C37H59N5O2+2 MolecularWeight: 605.89666

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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)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C37H59N5O2/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-42-35(43)33-34(39(3)37(42)44)38-36-40(29-22-30-41(33)36)32-26-24-31(25-27-32)23-7-5-2/h24-27H,4-23,28-30H2,1-3H3/q+2