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

Systemtic Name: 9-(2-ethylphenyl)-3-hexadecyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 9-(2-ethylphenyl)-3-hexadecyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(2-ethylphenyl)-3-hexadecyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(2-ethylphenyl)-3-hexadecyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 3-cetyl-9-(2-ethylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C33H51N5O2+2 MolecularWeight: 549.79034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=CC=CC=C4CC

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=CC=CC=C4CC

InChI

InChI=1S/C33H51N5O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-24-38-31(39)29-30(35(3)33(38)40)34-32-36(25-21-26-37(29)32)28-23-19-18-22-27(28)5-2/h18-19,22-23H,4-17,20-21,24-26H2,1-3H3/q+2