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

Systemtic Name: 9-(2,4-dimethoxyphenyl)-3-hexadecyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 9-(2,4-dimethoxyphenyl)-3-hexadecyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(2,4-dimethoxyphenyl)-3-hexadecyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(2,4-dimethoxyphenyl)-3-hexadecyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 3-cetyl-9-(2,4-dimethoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C33H51N5O4+2 MolecularWeight: 581.78914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H51N5O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-38-31(39)29-30(35(2)33(38)40)34-32-36(23-19-24-37(29)32)27-21-20-26(41-3)25-28(27)42-4/h20-21,25H,5-19,22-24H2,1-4H3/q+2