6-(4-dimethylaminophenyl)-4-methyl-2-(3-oxidanylpropyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(4-dimethylaminophenyl)-4-methyl-2-(3-oxidanylpropyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-dimethylaminophenyl)-2-(3-hydroxypropyl)-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-dimethylaminophenyl)-2-(3-hydroxypropyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-dimethylaminophenyl)-2-(3-hydroxypropyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-dimethylaminophenyl)-2-(3-hydroxypropyl)-4-methyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C25H26N6O3 MolecularWeight: 458.51234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCCO)N3C=C(N(C3=N2)C4=CC=C(C=C4)N(C)C)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCCO)N3C=C(N(C3=N2)C4=CC=C(C=C4)N(C)C)C5=CC=CC=C5

InChI

InChI=1S/C25H26N6O3/c1-27(2)18-10-12-19(13-11-18)31-20(17-8-5-4-6-9-17)16-30-21-22(26-24(30)31)28(3)25(34)29(23(21)33)14-7-15-32/h4-6,8-13,16,32H,7,14-15H2,1-3H3