3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-[(4-phenylphenyl)methyl]purine-2,6-dione

Systemtic Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-[(4-phenylphenyl)methyl]purine-2,6-dione Openeye Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-[(4-phenylphenyl)methyl]purine-2,6-dione CAS Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-[(4-phenylphenyl)methyl]purine-2,6-dione IUPAC Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-[(4-phenylphenyl)methyl]purine-2,6-dione Traditional Name: 3-(2,4-dichlorophenyl)-8-ethyl-1-methyl-7-(4-phenylbenzyl)xanthine Formula: C27H22Cl2N4O2 MolecularWeight: 505.39518

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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(C(=O)N2C5=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(C(=O)N2C5=C(C=C(C=C5)Cl)Cl)C

InChI

InChI=1S/C27H22Cl2N4O2/c1-3-23-30-25-24(26(34)31(2)27(35)33(25)22-14-13-20(28)15-21(22)29)32(23)16-17-9-11-19(12-10-17)18-7-5-4-6-8-18/h4-15H,3,16H2,1-2H3