6-(2-methoxyphenyl)-4,7,8-trimethyl-2-phenethyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(2-methoxyphenyl)-4,7,8-trimethyl-2-phenethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2-methoxyphenyl)-4,7,8-trimethyl-2-phenethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-methoxyphenyl)-4,7,8-trimethyl-2-phenethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-methoxyphenyl)-4,7,8-trimethyl-2-phenethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2-methoxyphenyl)-4,7,8-trimethyl-2-phenethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1C4=CC=CC=C4OC)N(C(=O)N(C3=O)CCC5=CC=CC=C5)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1C4=CC=CC=C4OC)N(C(=O)N(C3=O)CCC5=CC=CC=C5)C)C

InChI

InChI=1S/C25H25N5O3/c1-16-17(2)30-21-22(26-24(30)29(16)19-12-8-9-13-20(19)33-4)27(3)25(32)28(23(21)31)15-14-18-10-6-5-7-11-18/h5-13H,14-15H2,1-4H3