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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=O)C2=[N+]3CCC[N+](=C3N=C2N(C1=O)C)CCC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCN1C(=O)C2=[N+]3CCC[N+](=C3N=C2N(C1=O)C)CCC4=CC=CC=C4

InChI

InChI=1S/C29H43N5O2/c1-3-4-5-6-7-8-9-10-11-15-21-34-27(35)25-26(31(2)29(34)36)30-28-32(20-16-22-33(25)28)23-19-24-17-13-12-14-18-24/h12-14,17-18H,3-11,15-16,19-23H2,1-2H3/q+2