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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[N+](=C2N=C3C(=[N+]2C1)C(=O)N(C(=O)N3C)CC(=O)C4=CC=CC=C4)CCC5=CC=CC=C5

Isomeric SMILES

CC1C[N+](=C2N=C3C(=[N+]2C1)C(=O)N(C(=O)N3C)CC(=O)C4=CC=CC=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C26H27N5O3/c1-18-15-29(14-13-19-9-5-3-6-10-19)25-27-23-22(30(25)16-18)24(33)31(26(34)28(23)2)17-21(32)20-11-7-4-8-12-20/h3-12,18H,13-17H2,1-2H3/q+2