4-methyl-2-phenethyl-6-(4-phenoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4-methyl-2-phenethyl-6-(4-phenoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 4-methyl-2-phenethyl-6-(4-phenoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione CAS Name: 4-methyl-2-phenethyl-6-(4-phenoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4-methyl-2-phenethyl-6-(4-phenoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 4-methyl-2-phenethyl-6-(4-phenoxyphenyl)-7,8-dihydropurin[7,8-a]imidazole-1,3-quinone Formula: C28H25N5O3 MolecularWeight: 479.5298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N4CCN(C4=N2)C5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N4CCN(C4=N2)C5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C28H25N5O3/c1-30-25-24(26(34)33(28(30)35)17-16-20-8-4-2-5-9-20)32-19-18-31(27(32)29-25)21-12-14-23(15-13-21)36-22-10-6-3-7-11-22/h2-15H,16-19H2,1H3