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

Systemtic Name: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(4-propan-2-ylphenoxy)purine-2,6-dione Openeye Name: 7-[(2,4-dichlorophenyl)methyl]-8-(4-isopropylphenoxy)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(4-propan-2-ylphenoxy)purine-2,6-dione IUPAC Name: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(4-propan-2-ylphenoxy)purine-2,6-dione Traditional Name: 7-(2,4-dichlorobenzyl)-8-(4-isopropylphenoxy)-1,3-dimethyl-xanthine Formula: C23H22Cl2N4O3 MolecularWeight: 473.35178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C1=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/C23H22Cl2N4O3/c1-13(2)14-6-9-17(10-7-14)32-22-26-20-19(21(30)28(4)23(31)27(20)3)29(22)12-15-5-8-16(24)11-18(15)25/h5-11,13H,12H2,1-4H3