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

Systemtic Name: 1-methyl-3-phenacyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 1-methyl-3-phenacyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 1-methyl-3-phenacyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 1-methyl-3-phenacyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 1-methyl-3-phenacyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C23H21N5O3+2 MolecularWeight: 415.44454

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H21N5O3/c1-25-20-19(21(30)28(23(25)31)15-18(29)16-9-4-2-5-10-16)27-14-8-13-26(22(27)24-20)17-11-6-3-7-12-17/h2-7,9-12H,8,13-15H2,1H3/q+2