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

Systemtic Name: 9-(3-methoxyphenyl)-1-methyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 9-(3-methoxyphenyl)-1-methyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(3-methoxyphenyl)-1-methyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(3-methoxyphenyl)-1-methyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 9-(3-methoxyphenyl)-1-methyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C24H23N5O4+2 MolecularWeight: 445.47052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N5O4/c1-26-21-20(22(31)29(24(26)32)15-19(30)16-8-4-3-5-9-16)28-13-7-12-27(23(28)25-21)17-10-6-11-18(14-17)33-2/h3-6,8-11,14H,7,12-13,15H2,1-2H3/q+2