7-(4-chlorophenyl)-4-methyl-6-(2-methylphenyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 7-(4-chlorophenyl)-4-methyl-6-(2-methylphenyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-(4-chlorophenyl)-4-methyl-6-(o-tolyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 7-(4-chlorophenyl)-4-methyl-6-(2-methylphenyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-(4-chlorophenyl)-4-methyl-6-(2-methylphenyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 7-(4-chlorophenyl)-4-methyl-6-(o-tolyl)purin[7,8-a]imidazole-1,3-quinone Formula: C21H16ClN5O2 MolecularWeight: 405.83704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CN3C2=NC4=C3C(=O)NC(=O)N4C)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC=CC=C1N2C(=CN3C2=NC4=C3C(=O)NC(=O)N4C)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C21H16ClN5O2/c1-12-5-3-4-6-15(12)27-16(13-7-9-14(22)10-8-13)11-26-17-18(23-20(26)27)25(2)21(29)24-19(17)28/h3-11H,1-2H3,(H,24,28,29)