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

Systemtic Name: 6-(4-ethylphenyl)-4-methyl-2-(3-oxidanylpropyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-ethylphenyl)-2-(3-hydroxypropyl)-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-ethylphenyl)-2-(3-hydroxypropyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-ethylphenyl)-2-(3-hydroxypropyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-ethylphenyl)-2-(3-hydroxypropyl)-4-methyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C25H25N5O3 MolecularWeight: 443.4977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCCO)C5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCCO)C5=CC=CC=C5

InChI

InChI=1S/C25H25N5O3/c1-3-17-10-12-19(13-11-17)30-20(18-8-5-4-6-9-18)16-29-21-22(26-24(29)30)27(2)25(33)28(23(21)32)14-7-15-31/h4-6,8-13,16,31H,3,7,14-15H2,1-2H3