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

Systemtic Name: 2,4-dimethyl-6-(4-methylphenyl)-7-thiophen-2-yl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2,4-dimethyl-6-(p-tolyl)-7-(2-thienyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 2,4-dimethyl-6-(4-methylphenyl)-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2,4-dimethyl-6-(4-methylphenyl)-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2,4-dimethyl-6-(p-tolyl)-7-(2-thienyl)purin[7,8-a]imidazole-1,3-quinone Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5O2S/c1-12-6-8-13(9-7-12)25-14(15-5-4-10-28-15)11-24-16-17(21-19(24)25)22(2)20(27)23(3)18(16)26/h4-11H,1-3H3