3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-[(4-phenylphenyl)methyl]-2H-purin-6-one

Systemtic Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-[(4-phenylphenyl)methyl]-2H-purin-6-one Openeye Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-[(4-phenylphenyl)methyl]-2H-purin-6-one CAS Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-[(4-phenylphenyl)methyl]-2H-purin-6-one IUPAC Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-[(4-phenylphenyl)methyl]-2H-purin-6-one Traditional Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-(4-phenylbenzyl)-2H-purin-6-one Formula: C27H24Cl2N4O MolecularWeight: 491.41166

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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)Cl)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)Cl)Cl)C

InChI

InChI=1S/C27H24Cl2N4O/c1-3-24-30-26-25(27(34)31(2)17-33(26)23-14-13-21(28)15-22(23)29)32(24)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-15H,3,16-17H2,1-2H3