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

Systemtic Name: 2-ethyl-4-methyl-6-(4-phenoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 2-ethyl-4-methyl-6-(4-phenoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione CAS Name: 2-ethyl-4-methyl-6-(4-phenoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-ethyl-4-methyl-6-(4-phenoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-ethyl-4-methyl-6-(4-phenoxyphenyl)-7,8-dihydropurin[7,8-a]imidazole-1,3-quinone Formula: C22H21N5O3 MolecularWeight: 403.43384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C3N2CCN3C4=CC=C(C=C4)OC5=CC=CC=C5)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C3N2CCN3C4=CC=C(C=C4)OC5=CC=CC=C5)N(C1=O)C

InChI

InChI=1S/C22H21N5O3/c1-3-25-20(28)18-19(24(2)22(25)29)23-21-26(13-14-27(18)21)15-9-11-17(12-10-15)30-16-7-5-4-6-8-16/h4-12H,3,13-14H2,1-2H3