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

Systemtic Name: 1,7-dimethyl-3-nonyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Openeye Name: 1,7-dimethyl-3-nonyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione CAS Name: 1,7-dimethyl-3-nonyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione IUPAC Name: 1,7-dimethyl-3-nonyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Traditional Name: 1,7-dimethyl-3-nonyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-quinone Formula: C27H39N5O2+2 MolecularWeight: 465.63086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C(=O)C2=[N+]3CC(C[N+](=C3N=C2N(C1=O)C)CCC4=CC=CC=C4)C

Isomeric SMILES

CCCCCCCCCN1C(=O)C2=[N+]3CC(C[N+](=C3N=C2N(C1=O)C)CCC4=CC=CC=C4)C

InChI

InChI=1S/C27H39N5O2/c1-4-5-6-7-8-9-13-17-31-25(33)23-24(29(3)27(31)34)28-26-30(19-21(2)20-32(23)26)18-16-22-14-11-10-12-15-22/h10-12,14-15,21H,4-9,13,16-20H2,1-3H3/q+2