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

Systemtic Name: 6-cyclohexyl-7-(2,4-dichlorophenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-cyclohexyl-7-(2,4-dichlorophenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-cyclohexyl-7-(2,4-dichlorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-cyclohexyl-7-(2,4-dichlorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-cyclohexyl-7-(2,4-dichlorophenyl)-2,4-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H21Cl2N5O2 MolecularWeight: 446.32974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4CCCCC4)C5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4CCCCC4)C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C21H21Cl2N5O2/c1-25-18-17(19(29)26(2)21(25)30)27-11-16(14-9-8-12(22)10-15(14)23)28(20(27)24-18)13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3