6-(5-chloranyl-2-methoxy-phenyl)-4,7,8-trimethyl-2-phenacyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(5-chloranyl-2-methoxy-phenyl)-4,7,8-trimethyl-2-phenacyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(5-chloro-2-methoxy-phenyl)-4,7,8-trimethyl-2-phenacyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(5-chloro-2-methoxyphenyl)-4,7,8-trimethyl-2-phenacylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(5-chloro-2-methoxyphenyl)-4,7,8-trimethyl-2-phenacylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(5-chloro-2-methoxy-phenyl)-4,7,8-trimethyl-2-phenacyl-purin[7,8-a]imidazole-1,3-quinone Formula: C25H22ClN5O4 MolecularWeight: 491.92628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1C4=C(C=CC(=C4)Cl)OC)N(C(=O)N(C3=O)CC(=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1C4=C(C=CC(=C4)Cl)OC)N(C(=O)N(C3=O)CC(=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C25H22ClN5O4/c1-14-15(2)31-21-22(27-24(31)30(14)18-12-17(26)10-11-20(18)35-4)28(3)25(34)29(23(21)33)13-19(32)16-8-6-5-7-9-16/h5-12H,13H2,1-4H3