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

Systemtic Name: 6-(3-methoxyphenyl)-4-methyl-2-octyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3-methoxyphenyl)-4-methyl-2-octyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-methoxyphenyl)-4-methyl-2-octyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-methoxyphenyl)-4-methyl-2-octyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3-methoxyphenyl)-4-methyl-2-octyl-7,8-dihydropurin[7,8-a]imidazole-1,3-quinone Formula: C23H31N5O3 MolecularWeight: 425.52394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C2=C(N=C3N2CCN3C4=CC(=CC=C4)OC)N(C1=O)C

Isomeric SMILES

CCCCCCCCN1C(=O)C2=C(N=C3N2CCN3C4=CC(=CC=C4)OC)N(C1=O)C

InChI

InChI=1S/C23H31N5O3/c1-4-5-6-7-8-9-13-28-21(29)19-20(25(2)23(28)30)24-22-26(14-15-27(19)22)17-11-10-12-18(16-17)31-3/h10-12,16H,4-9,13-15H2,1-3H3