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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC4=CC=CC=C4)C5=CC(=C(C=C5)OC)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC4=CC=CC=C4)C5=CC(=C(C=C5)OC)Cl

InChI

InChI=1S/C23H20ClN5O3/c1-26-20-19(21(30)27(2)23(26)31)29-13-17(15-9-10-18(32-3)16(24)11-15)28(22(29)25-20)12-14-7-5-4-6-8-14/h4-11,13H,12H2,1-3H3