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

Systemtic Name: 1,7-dimethyl-3-octyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Openeye Name: 1,7-dimethyl-3-octyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione CAS Name: 1,7-dimethyl-3-octyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione IUPAC Name: 1,7-dimethyl-3-octyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Traditional Name: 1,7-dimethyl-3-octyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-quinone Formula: C26H37N5O2+2 MolecularWeight: 451.60428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C2=[N+]3CC(C[N+](=C3N=C2N(C1=O)C)CCC4=CC=CC=C4)C

Isomeric SMILES

CCCCCCCCN1C(=O)C2=[N+]3CC(C[N+](=C3N=C2N(C1=O)C)CCC4=CC=CC=C4)C

InChI

InChI=1S/C26H37N5O2/c1-4-5-6-7-8-12-16-30-24(32)22-23(28(3)26(30)33)27-25-29(18-20(2)19-31(22)25)17-15-21-13-10-9-11-14-21/h9-11,13-14,20H,4-8,12,15-19H2,1-3H3/q+2