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

Systemtic Name: 7-[(2,4-dichlorophenyl)methyl]-8-(4-ethylphenoxy)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2,4-dichlorophenyl)methyl]-8-(4-ethylphenoxy)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2,4-dichlorophenyl)methyl]-8-(4-ethylphenoxy)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2,4-dichlorophenyl)methyl]-8-(4-ethylphenoxy)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2,4-dichlorobenzyl)-8-(4-ethylphenoxy)-1,3-dimethyl-xanthine Formula: C22H20Cl2N4O3 MolecularWeight: 459.3252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC3=C(N2CC4=C(C=C(C=C4)Cl)Cl)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC3=C(N2CC4=C(C=C(C=C4)Cl)Cl)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H20Cl2N4O3/c1-4-13-5-9-16(10-6-13)31-21-25-19-18(20(29)27(3)22(30)26(19)2)28(21)12-14-7-8-15(23)11-17(14)24/h5-11H,4,12H2,1-3H3