6-(4-ethylphenyl)-2,4-dimethyl-7-thiophen-2-yl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(4-ethylphenyl)-2,4-dimethyl-7-thiophen-2-yl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-ethylphenyl)-2,4-dimethyl-7-(2-thienyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-ethylphenyl)-2,4-dimethyl-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-ethylphenyl)-2,4-dimethyl-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-ethylphenyl)-2,4-dimethyl-7-(2-thienyl)purin[7,8-a]imidazole-1,3-quinone Formula: C21H19N5O2S MolecularWeight: 405.47286

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)C)C5=CC=CS5

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C5=CC=CS5

InChI

InChI=1S/C21H19N5O2S/c1-4-13-7-9-14(10-8-13)26-15(16-6-5-11-29-16)12-25-17-18(22-20(25)26)23(2)21(28)24(3)19(17)27/h5-12H,4H2,1-3H3