3-(2-chloranyl-4-methoxy-phenyl)-8-ethyl-1-methyl-7-[(4-phenylphenyl)methyl]-2H-purin-6-one

Systemtic Name: 3-(2-chloranyl-4-methoxy-phenyl)-8-ethyl-1-methyl-7-[(4-phenylphenyl)methyl]-2H-purin-6-one Openeye Name: 3-(2-chloro-4-methoxy-phenyl)-8-ethyl-1-methyl-7-[(4-phenylphenyl)methyl]-2H-purin-6-one CAS Name: 3-(2-chloro-4-methoxyphenyl)-8-ethyl-1-methyl-7-[(4-phenylphenyl)methyl]-2H-purin-6-one IUPAC Name: 3-(2-chloro-4-methoxyphenyl)-8-ethyl-1-methyl-7-[(4-phenylphenyl)methyl]-2H-purin-6-one Traditional Name: 3-(2-chloro-4-methoxy-phenyl)-8-ethyl-1-methyl-7-(4-phenylbenzyl)-2H-purin-6-one Formula: C28H27ClN4O2 MolecularWeight: 486.99258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)N(CN2C5=C(C=C(C=C5)OC)Cl)C

Isomeric SMILES

CCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)N(CN2C5=C(C=C(C=C5)OC)Cl)C

InChI

InChI=1S/C28H27ClN4O2/c1-4-25-30-27-26(28(34)31(2)18-33(27)24-15-14-22(35-3)16-23(24)29)32(25)17-19-10-12-21(13-11-19)20-8-6-5-7-9-20/h5-16H,4,17-18H2,1-3H3