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

Systemtic Name: 9-(4-bromophenyl)-1,7-dimethyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 9-(4-bromophenyl)-1,7-dimethyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(4-bromophenyl)-1,7-dimethyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(4-bromophenyl)-1,7-dimethyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 9-(4-bromophenyl)-1,7-dimethyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C24H22BrN5O3+2 MolecularWeight: 508.36718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=NC3=[N+](C(=O)N(C(=O)C3=[N+]2C1)CC(=O)C4=CC=CC=C4)C)C5=CC=C(C=C5)Br

Isomeric SMILES

CC1CN(C2=NC3=[N+](C(=O)N(C(=O)C3=[N+]2C1)CC(=O)C4=CC=CC=C4)C)C5=CC=C(C=C5)Br

InChI

InChI=1S/C24H22BrN5O3/c1-15-12-28(18-10-8-17(25)9-11-18)23-26-21-20(29(23)13-15)22(32)30(24(33)27(21)2)14-19(31)16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3/q+2