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

Systemtic Name: 4-methyl-2-pentyl-6-(4-phenoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 4-methyl-2-pentyl-6-(4-phenoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione CAS Name: 4-methyl-2-pentyl-6-(4-phenoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4-methyl-2-pentyl-6-(4-phenoxyphenyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-amyl-4-methyl-6-(4-phenoxyphenyl)-7,8-dihydropurin[7,8-a]imidazole-1,3-quinone Formula: C25H27N5O3 MolecularWeight: 445.51358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(N=C3N2CCN3C4=CC=C(C=C4)OC5=CC=CC=C5)N(C1=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=C3N2CCN3C4=CC=C(C=C4)OC5=CC=CC=C5)N(C1=O)C

InChI

InChI=1S/C25H27N5O3/c1-3-4-8-15-30-23(31)21-22(27(2)25(30)32)26-24-28(16-17-29(21)24)18-11-13-20(14-12-18)33-19-9-6-5-7-10-19/h5-7,9-14H,3-4,8,15-17H2,1-2H3