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

Systemtic Name: 6-cyclopropyl-2,4-dimethyl-7-phenyl-5H-purino[7,8-a]imidazol-9-ium-1,3-dione Openeye Name: 6-cyclopropyl-2,4-dimethyl-7-phenyl-5H-purino[7,8-a]imidazol-9-ium-1,3-dione CAS Name: 6-cyclopropyl-2,4-dimethyl-7-phenyl-5H-purino[7,8-a]imidazol-9-ium-1,3-dione IUPAC Name: 6-cyclopropyl-2,4-dimethyl-7-phenyl-5H-purino[7,8-a]imidazol-9-ium-1,3-dione Traditional Name: 6-cyclopropyl-2,4-dimethyl-7-phenyl-5H-purin[7,8-a]imidazol-9-ium-1,3-quinone Formula: C18H18N5O2+ MolecularWeight: 336.36782

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)[N+]3=C(N2)N(C(=C3)C4=CC=CC=C4)C5CC5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)[N+]3=C(N2)N(C(=C3)C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C18H17N5O2/c1-20-15-14(16(24)21(2)18(20)25)22-10-13(11-6-4-3-5-7-11)23(12-8-9-12)17(22)19-15/h3-7,10,12H,8-9H2,1-2H3/p+1