4-methyl-2-phenethyl-6-phenyl-7,8-dihydro-5H-purino[7,8-a]imidazol-9-ium-1,3-dione

Systemtic Name: 4-methyl-2-phenethyl-6-phenyl-7,8-dihydro-5H-purino[7,8-a]imidazol-9-ium-1,3-dione Openeye Name: 4-methyl-2-phenethyl-6-phenyl-7,8-dihydro-5H-purino[7,8-a]imidazol-9-ium-1,3-dione CAS Name: 4-methyl-2-phenethyl-6-phenyl-7,8-dihydro-5H-purino[7,8-a]imidazol-9-ium-1,3-dione IUPAC Name: 4-methyl-2-phenethyl-6-phenyl-7,8-dihydro-5H-purino[7,8-a]imidazol-9-ium-1,3-dione Traditional Name: 4-methyl-2-phenethyl-6-phenyl-7,8-dihydro-5H-purin[7,8-a]imidazol-9-ium-1,3-quinone Formula: C22H22N5O2+ MolecularWeight: 388.44238

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)[N+]4=C(N2)N(CC4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)[N+]4=C(N2)N(CC4)C5=CC=CC=C5

InChI

InChI=1S/C22H21N5O2/c1-24-19-18(20(28)27(22(24)29)13-12-16-8-4-2-5-9-16)26-15-14-25(21(26)23-19)17-10-6-3-7-11-17/h2-11H,12-15H2,1H3/p+1