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

Systemtic Name: 7-(4-chlorophenyl)-6-cyclohexyl-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-(4-chlorophenyl)-6-cyclohexyl-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 7-(4-chlorophenyl)-6-cyclohexyl-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-(4-chlorophenyl)-6-cyclohexyl-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 7-(4-chlorophenyl)-6-cyclohexyl-2,4-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H22ClN5O2 MolecularWeight: 411.88468

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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=CC=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN5O2/c1-24-18-17(19(28)25(2)21(24)29)26-12-16(13-8-10-14(22)11-9-13)27(20(26)23-18)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3