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

Systemtic Name: 8-ethyl-2,4-dimethyl-6-phenethyl-7-phenyl-5H-purino[7,8-a]imidazol-6-ium-1,3-dione Openeye Name: 8-ethyl-2,4-dimethyl-6-phenethyl-7-phenyl-5H-purino[7,8-a]imidazol-6-ium-1,3-dione CAS Name: 8-ethyl-2,4-dimethyl-6-phenethyl-7-phenyl-5H-purino[7,8-a]imidazol-6-ium-1,3-dione IUPAC Name: 8-ethyl-2,4-dimethyl-6-phenethyl-7-phenyl-5H-purino[7,8-a]imidazol-6-ium-1,3-dione Traditional Name: 8-ethyl-2,4-dimethyl-6-phenethyl-7-phenyl-5H-purin[7,8-a]imidazol-6-ium-1,3-quinone Formula: C25H26N5O2+ MolecularWeight: 428.50624

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C([N+](=C2N1C3=C(N2)N(C(=O)N(C3=O)C)C)CCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCC1=C([N+](=C2N1C3=C(N2)N(C(=O)N(C3=O)C)C)CCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H25N5O2/c1-4-19-20(18-13-9-6-10-14-18)29(16-15-17-11-7-5-8-12-17)24-26-22-21(30(19)24)23(31)28(3)25(32)27(22)2/h5-14H,4,15-16H2,1-3H3/p+1