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

Systemtic Name: 1-methyl-3-phenacyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 1-methyl-3-phenacyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 1-methyl-3-phenacyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 1-methyl-3-phenacyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 1-methyl-3-phenacyl-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C29H25N5O4+2 MolecularWeight: 507.5399

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C(=[N+]3CCCN(C3=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N(C1=O)CC(=O)C6=CC=CC=C6

Isomeric SMILES

C[N+]1=C2C(=[N+]3CCCN(C3=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N(C1=O)CC(=O)C6=CC=CC=C6

InChI

InChI=1S/C29H25N5O4/c1-31-26-25(27(36)34(29(31)37)19-24(35)20-9-4-2-5-10-20)33-18-8-17-32(28(33)30-26)21-13-15-23(16-14-21)38-22-11-6-3-7-12-22/h2-7,9-16H,8,17-19H2,1H3/q+2