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

Systemtic Name: 6-(2-aminophenyl)-7-(4-chlorophenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2-aminophenyl)-7-(4-chlorophenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-aminophenyl)-7-(4-chlorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-aminophenyl)-7-(4-chlorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2-aminophenyl)-7-(4-chlorophenyl)-2,4-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H17ClN6O2 MolecularWeight: 420.85168

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC=CC=C4N)C5=CC=C(C=C5)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC=CC=C4N)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C21H17ClN6O2/c1-25-18-17(19(29)26(2)21(25)30)27-11-16(12-7-9-13(22)10-8-12)28(20(27)24-18)15-6-4-3-5-14(15)23/h3-11H,23H2,1-2H3