6-(5-chloranyl-2-methoxy-phenyl)-4-methyl-2-phenethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(5-chloranyl-2-methoxy-phenyl)-4-methyl-2-phenethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(5-chloro-2-methoxy-phenyl)-4-methyl-2-phenethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione CAS Name: 6-(5-chloro-2-methoxyphenyl)-4-methyl-2-phenethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(5-chloro-2-methoxyphenyl)-4-methyl-2-phenethyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(5-chloro-2-methoxy-phenyl)-4-methyl-2-phenethyl-7,8-dihydropurin[7,8-a]imidazole-1,3-quinone Formula: C23H22ClN5O3 MolecularWeight: 451.90548

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N4CCN(C4=N2)C5=C(C=CC(=C5)Cl)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N4CCN(C4=N2)C5=C(C=CC(=C5)Cl)OC

InChI

InChI=1S/C23H22ClN5O3/c1-26-20-19(21(30)29(23(26)31)11-10-15-6-4-3-5-7-15)28-13-12-27(22(28)25-20)17-14-16(24)8-9-18(17)32-2/h3-9,14H,10-13H2,1-2H3