6-(1,3-benzodioxol-5-yl)-8-ethyl-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-8-ethyl-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(1,3-benzodioxol-5-yl)-8-ethyl-2,4-dimethyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(1,3-benzodioxol-5-yl)-8-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(1,3-benzodioxol-5-yl)-8-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(1,3-benzodioxol-5-yl)-8-ethyl-2,4-dimethyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C24H21N5O4 MolecularWeight: 443.45464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)C)C4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

Isomeric SMILES

CCC1=C(N(C2=NC3=C(N12)C(=O)N(C(=O)N3C)C)C4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

InChI

InChI=1S/C24H21N5O4/c1-4-16-19(14-8-6-5-7-9-14)28(15-10-11-17-18(12-15)33-13-32-17)23-25-21-20(29(16)23)22(30)27(3)24(31)26(21)2/h5-12H,4,13H2,1-3H3