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

Systemtic Name: 6-(3-chloranyl-4-methoxy-phenyl)-2-ethyl-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3-chloro-4-methoxy-phenyl)-2-ethyl-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-chloro-4-methoxyphenyl)-2-ethyl-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-chloro-4-methoxyphenyl)-2-ethyl-4-methyl-7-phenylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3-chloro-4-methoxy-phenyl)-2-ethyl-4-methyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone Formula: C23H20ClN5O3 MolecularWeight: 449.8896

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C3N2C=C(N3C4=CC(=C(C=C4)OC)Cl)C5=CC=CC=C5)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C3N2C=C(N3C4=CC(=C(C=C4)OC)Cl)C5=CC=CC=C5)N(C1=O)C

InChI

InChI=1S/C23H20ClN5O3/c1-4-27-21(30)19-20(26(2)23(27)31)25-22-28(19)13-17(14-8-6-5-7-9-14)29(22)15-10-11-18(32-3)16(24)12-15/h5-13H,4H2,1-3H3