6-(5-chloranyl-2-methyl-phenyl)-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(5-chloranyl-2-methyl-phenyl)-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(5-chloro-2-methyl-phenyl)-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(5-chloro-2-methylphenyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(5-chloro-2-methylphenyl)-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(5-chloro-2-methyl-phenyl)-4-methyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H16ClN5O2 MolecularWeight: 405.83704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C(=CN3C2=NC4=C3C(=O)NC(=O)N4C)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C(=CN3C2=NC4=C3C(=O)NC(=O)N4C)C5=CC=CC=C5

InChI

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