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

Systemtic Name: 3-dodecyl-9-(2-ethylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 3-dodecyl-9-(2-ethylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 3-dodecyl-9-(2-ethylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 3-dodecyl-9-(2-ethylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 9-(2-ethylphenyl)-3-lauryl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C29H43N5O2+2 MolecularWeight: 493.68402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=CC=CC=C4CC

Isomeric SMILES

CCCCCCCCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=CC=CC=C4CC

InChI

InChI=1S/C29H43N5O2/c1-4-6-7-8-9-10-11-12-13-16-20-34-27(35)25-26(31(3)29(34)36)30-28-32(21-17-22-33(25)28)24-19-15-14-18-23(24)5-2/h14-15,18-19H,4-13,16-17,20-22H2,1-3H3/q+2