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

Systemtic Name: 9-(4-ethylphenyl)-1,7-dimethyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 9-(4-ethylphenyl)-1,7-dimethyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(4-ethylphenyl)-1,7-dimethyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(4-ethylphenyl)-1,7-dimethyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 9-(4-ethylphenyl)-1,7-dimethyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C26H27N5O3+2 MolecularWeight: 457.52428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2CC(C[N+]3=C4C(=[N+](C(=O)N(C4=O)CC(=O)C5=CC=CC=C5)C)N=C23)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2CC(C[N+]3=C4C(=[N+](C(=O)N(C4=O)CC(=O)C5=CC=CC=C5)C)N=C23)C

InChI

InChI=1S/C26H27N5O3/c1-4-18-10-12-20(13-11-18)29-14-17(2)15-30-22-23(27-25(29)30)28(3)26(34)31(24(22)33)16-21(32)19-8-6-5-7-9-19/h5-13,17H,4,14-16H2,1-3H3/q+2