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

Systemtic Name: 9-(4-dimethylaminophenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 9-(4-dimethylaminophenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(4-dimethylaminophenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(4-dimethylaminophenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 9-(4-dimethylaminophenyl)-1-methyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C25H28N6O2+2 MolecularWeight: 444.52882

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C(=[N+]3CCCN(C3=N2)C4=CC=C(C=C4)N(C)C)C(=O)N(C1=O)CCC5=CC=CC=C5

Isomeric SMILES

C[N+]1=C2C(=[N+]3CCCN(C3=N2)C4=CC=C(C=C4)N(C)C)C(=O)N(C1=O)CCC5=CC=CC=C5

InChI

InChI=1S/C25H28N6O2/c1-27(2)19-10-12-20(13-11-19)29-15-7-16-30-21-22(26-24(29)30)28(3)25(33)31(23(21)32)17-14-18-8-5-4-6-9-18/h4-6,8-13H,7,14-17H2,1-3H3/q+2