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

Systemtic Name: 1,7-dimethyl-3-phenacyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 1,7-dimethyl-3-phenacyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 1,7-dimethyl-3-phenacyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 1,7-dimethyl-3-phenacyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 1,7-dimethyl-3-phenacyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C24H23N5O3+2 MolecularWeight: 429.47112

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C24H23N5O3/c1-16-13-27(18-11-7-4-8-12-18)23-25-21-20(28(23)14-16)22(31)29(24(32)26(21)2)15-19(30)17-9-5-3-6-10-17/h3-12,16H,13-15H2,1-2H3/q+2