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

Systemtic Name: 7-[(4-chlorophenyl)methyl]-8-(2-ethylphenoxy)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-8-(2-ethylphenoxy)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-8-(2-ethylphenoxy)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-8-(2-ethylphenoxy)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-8-(2-ethylphenoxy)-1,3-dimethyl-xanthine Formula: C22H21ClN4O3 MolecularWeight: 424.88014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1OC2=NC3=C(N2CC4=CC=C(C=C4)Cl)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCC1=CC=CC=C1OC2=NC3=C(N2CC4=CC=C(C=C4)Cl)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H21ClN4O3/c1-4-15-7-5-6-8-17(15)30-21-24-19-18(20(28)26(3)22(29)25(19)2)27(21)13-14-9-11-16(23)12-10-14/h5-12H,4,13H2,1-3H3