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

Systemtic Name: 9-(2-ethylphenyl)-3-hexadecyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 9-(2-ethylphenyl)-3-hexadecyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(2-ethylphenyl)-3-hexadecyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(2-ethylphenyl)-3-hexadecyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 3-cetyl-9-(2-ethylphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C34H53N5O2+2 MolecularWeight: 563.81692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H53N5O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-24-37-32(40)30-31(36(4)34(37)41)35-33-38(25-27(3)26-39(30)33)29-23-20-19-22-28(29)6-2/h19-20,22-23,27H,5-18,21,24-26H2,1-4H3/q+2