7-(3-chloranyl-4-ethoxy-phenyl)-2,4-dimethyl-6-phenethyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 7-(3-chloranyl-4-ethoxy-phenyl)-2,4-dimethyl-6-phenethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-(3-chloro-4-ethoxy-phenyl)-2,4-dimethyl-6-phenethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 7-(3-chloro-4-ethoxyphenyl)-2,4-dimethyl-6-phenethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-(3-chloro-4-ethoxyphenyl)-2,4-dimethyl-6-phenethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 7-(3-chloro-4-ethoxy-phenyl)-2,4-dimethyl-6-phenethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C25H24ClN5O3 MolecularWeight: 477.94276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=CN3C4=C(N=C3N2CCC5=CC=CC=C5)N(C(=O)N(C4=O)C)C)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=CN3C4=C(N=C3N2CCC5=CC=CC=C5)N(C(=O)N(C4=O)C)C)Cl

InChI

InChI=1S/C25H24ClN5O3/c1-4-34-20-11-10-17(14-18(20)26)19-15-31-21-22(28(2)25(33)29(3)23(21)32)27-24(31)30(19)13-12-16-8-6-5-7-9-16/h5-11,14-15H,4,12-13H2,1-3H3