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

Systemtic Name: 9-(4-bromophenyl)-1-methyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 9-(4-bromophenyl)-1-methyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(4-bromophenyl)-1-methyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(4-bromophenyl)-1-methyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 9-(4-bromophenyl)-1-methyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C23H20BrN5O3+2 MolecularWeight: 494.3406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrN5O3/c1-26-20-19(21(31)29(23(26)32)14-18(30)15-6-3-2-4-7-15)28-13-5-12-27(22(28)25-20)17-10-8-16(24)9-11-17/h2-4,6-11H,5,12-14H2,1H3/q+2