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

Systemtic Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(4-propan-2-ylphenoxy)purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-8-(4-isopropylphenoxy)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(4-propan-2-ylphenoxy)purine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(4-propan-2-ylphenoxy)purine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-8-(4-isopropylphenoxy)-1,3-dimethyl-xanthine Formula: C23H23ClN4O3 MolecularWeight: 438.90672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN4O3/c1-14(2)16-7-11-18(12-8-16)31-22-25-20-19(21(29)27(4)23(30)26(20)3)28(22)13-15-5-9-17(24)10-6-15/h5-12,14H,13H2,1-4H3