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

Systemtic Name: 9-(4-ethoxyphenyl)-3-hexadecyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 9-(4-ethoxyphenyl)-3-hexadecyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(4-ethoxyphenyl)-3-hexadecyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(4-ethoxyphenyl)-3-hexadecyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 3-cetyl-1-methyl-9-p-phenetyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C33H51N5O3+2 MolecularWeight: 565.78974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H51N5O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-24-38-31(39)29-30(35(3)33(38)40)34-32-36(25-19-26-37(29)32)27-20-22-28(23-21-27)41-5-2/h20-23H,4-19,24-26H2,1-3H3/q+2