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

Systemtic Name: 6-(3,5-dimethylphenyl)-2,4-dimethyl-7-thiophen-2-yl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3,5-dimethylphenyl)-2,4-dimethyl-7-(2-thienyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3,5-dimethylphenyl)-2,4-dimethyl-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3,5-dimethylphenyl)-2,4-dimethyl-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3,5-dimethylphenyl)-2,4-dimethyl-7-(2-thienyl)purin[7,8-a]imidazole-1,3-quinone Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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