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

Systemtic Name: 8-ethyl-2,4-dimethyl-7-phenyl-6-propyl-5H-purino[7,8-a]imidazol-6-ium-1,3-dione Openeye Name: 8-ethyl-2,4-dimethyl-7-phenyl-6-propyl-5H-purino[7,8-a]imidazol-6-ium-1,3-dione CAS Name: 8-ethyl-2,4-dimethyl-7-phenyl-6-propyl-5H-purino[7,8-a]imidazol-6-ium-1,3-dione IUPAC Name: 8-ethyl-2,4-dimethyl-7-phenyl-6-propyl-5H-purino[7,8-a]imidazol-6-ium-1,3-dione Traditional Name: 8-ethyl-2,4-dimethyl-7-phenyl-6-propyl-5H-purin[7,8-a]imidazol-6-ium-1,3-quinone Formula: C20H24N5O2+ MolecularWeight: 366.43686

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C2NC3=C(N2C(=C1C4=CC=CC=C4)CC)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCC[N+]1=C2NC3=C(N2C(=C1C4=CC=CC=C4)CC)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C20H23N5O2/c1-5-12-24-15(13-10-8-7-9-11-13)14(6-2)25-16-17(21-19(24)25)22(3)20(27)23(4)18(16)26/h7-11H,5-6,12H2,1-4H3/p+1