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

Systemtic Name: 6-(4-methoxy-3-methyl-phenyl)-2,4-dimethyl-7-thiophen-2-yl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-methoxy-3-methyl-phenyl)-2,4-dimethyl-7-(2-thienyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-methoxy-3-methylphenyl)-2,4-dimethyl-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-methoxy-3-methylphenyl)-2,4-dimethyl-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-methoxy-3-methyl-phenyl)-2,4-dimethyl-7-(2-thienyl)purin[7,8-a]imidazole-1,3-quinone Formula: C21H19N5O3S MolecularWeight: 421.47226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C5=CC=CS5)OC

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)C)C5=CC=CS5)OC

InChI

InChI=1S/C21H19N5O3S/c1-12-10-13(7-8-15(12)29-4)26-14(16-6-5-9-30-16)11-25-17-18(22-20(25)26)23(2)21(28)24(3)19(17)27/h5-11H,1-4H3